Geometry & MOs

Info

ID:	123025
PubChem CID:	50830871
Reduced:	ClOSN2C17H17 (1)
Stoich.:	ABCD2E17F17 (1)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	-15.41
Dipole, Da:	2.67
IP(EA), eV:	-8.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1SC(=C2C(=O)NC3=C(C(=CC=C3)Cl)C)C)C

DOS

IR

Vibrations