Geometry & MOs

Info

ID:	47234
PubChem CID:	10530787
Reduced:	SCl2N2O5H20C27 (1)
Stoich.:	AB2C2D5E20F27 (1)
Weight, g/mol:	555.330836
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	5.41
IP(EA), eV:	-8.95(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-aminotridecylideneamino] 3-oxo-2-phenyl-3-(2,4,6-trimethoxyanilino)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC(=C1NS(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations