Geometry & MOs

Info

ID:	54218
PubChem CID:	15047424
Reduced:	ClO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	412.043061
ΔH_f, kcal/mol:	-105.96
Dipole, Da:	5.41
IP(EA), eV:	-9.45(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chlorothiophen-2-yl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)C4C=C(OC4=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations