Geometry & MOs

Info

ID:	304622
PubChem CID:	124765989
Reduced:	N2O7C23H32 (1)
Stoich.:	A2B7C23D32 (1)
Weight, g/mol:	585.203049
ΔH_f, kcal/mol:	-276.8
Dipole, Da:	3.39
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R,6R,7R)-2-N-benzyl-3-[(4-chlorophenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

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

CCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N(C2=O)CC)C(=O)OCC

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

CCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N(C2=O)CC)C(=O)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):