Geometry & MOs

Info

ID:	60489
PubChem CID:	26697087
Reduced:	SN3O5C23H30 (1)
Stoich.:	AB3C5D23E30 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	-144.95
Dipole, Da:	5.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.095257
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCC[NH+]3CCOCC3)OC

DOS

IR

Vibrations