Geometry & MOs

Info

ID:	156866
PubChem CID:	56394785
Reduced:	SN4O5C21H28 (1)
Stoich.:	AB4C5D21E28 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-187.79
Dipole, Da:	3.76
IP(EA), eV:	-9.41(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCN(CC1)C(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N(CC)CC

DOS

IR

Vibrations