Geometry & MOs

Info

ID:	27143
PubChem CID:	815578
Reduced:	NOSC21H25 (1)
Stoich.:	ABCD21E25 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	-22.84
Dipole, Da:	3.64
IP(EA), eV:	-8.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCS[C@H]2C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations