Geometry & MOs

Info

ID:	228405
PubChem CID:	87564248
Reduced:	ClO3N4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	578.311772
ΔH_f, kcal/mol:	9.66
Dipole, Da:	7.15
IP(EA), eV:	-9.54(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S,5S)-3-[1-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1COCCN1C2=CC(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations