Geometry & MOs

Info

ID:	26946
PubChem CID:	804621
Reduced:	NSH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	55.74
Dipole, Da:	4.86
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(butanoylamino)benzoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=S)NC2=CC=CC=C2

DOS

IR

Vibrations