Geometry & MOs

Info

ID:	145574
PubChem CID:	53547159
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-180.48
Dipole, Da:	4.53
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(C)(C)O)NC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCCC2

DOS

IR

Vibrations