Geometry & MOs

Info

ID:	55800
PubChem CID:	17396575
Reduced:	NSO5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-160.72
Dipole, Da:	1.47
IP(EA), eV:	-8.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

DOS

IR

Vibrations