Geometry & MOs

Info

ID:	142240
PubChem CID:	53005127
Reduced:	O2N4H24C27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	441.11252
ΔH_f, kcal/mol:	16.61
Dipole, Da:	3.07
IP(EA), eV:	-8.41(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CNC4=CC=CC=C43)N(C1=O)CC5=CC=CC=C5

DOS

IR

Vibrations