Geometry & MOs

Info

ID:	214783
PubChem CID:	85083633
Reduced:	N7O8C29H33 (1)
Stoich.:	A7B8C29D33 (1)
Weight, g/mol:	607.2754
ΔH_f, kcal/mol:	-225.79
Dipole, Da:	7.63
IP(EA), eV:	-8.59(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-[2,5-bis(phenylmethoxy)phenyl]-5-methyl-2-phenyl-1,3-dioxolan-4-yl]-2-methyl-3H-1,2-oxazol-5-yl]-trimethylsilane

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

C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=CC=C4[N+](=O)[O-])C(=O)N

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

C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=CC=C4[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):