Geometry & MOs

Info

ID:	244078
PubChem CID:	99313555
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	398.15902
ΔH_f, kcal/mol:	-52.53
Dipole, Da:	6.78
IP(EA), eV:	-9.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCC(CC3)N4C=CN=C4

DOS

IR

Vibrations