Geometry & MOs

Info

ID:	31588
PubChem CID:	855906
Reduced:	NOSC14H15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	291.048463
ΔH_f, kcal/mol:	-11.8
Dipole, Da:	4.19
IP(EA), eV:	-8.37(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-chlorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(SC(=C2C)C)N

DOS

IR

Vibrations