Geometry & MOs

Info

ID:	140462
PubChem CID:	52702491
Reduced:	SN2O2C25H26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	438.140199
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	3.95
IP(EA), eV:	-8.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzamido-2-methylphenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCCCC3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations