Geometry & MOs

Info

ID:	300537
PubChem CID:	121360448
Reduced:	N2O7C19H20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	943.398438
ΔH_f, kcal/mol:	-172.51
Dipole, Da:	5.23
IP(EA), eV:	-9.08(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[[4-[(E)-3-[[3,3-dimethyl-1-oxo-1-[2-[phenyl-(4-phenylphenyl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-3-oxoprop-1-enyl]phenyl]-difluoromethyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):