Geometry & MOs

Info

ID:	287770
PubChem CID:	104294184
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	284.97819
ΔH_f, kcal/mol:	-1.97
Dipole, Da:	3.64
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)C2=CC(=CC(=C2)C)N

DOS

IR

Vibrations