Geometry & MOs

Info

ID:	156574
PubChem CID:	56371208
Reduced:	O3N4C25H34 (1)
Stoich.:	A3B4C25D34 (1)
Weight, g/mol:	484.214427
ΔH_f, kcal/mol:	-81.75
Dipole, Da:	4.34
IP(EA), eV:	-8.2(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3CCCN(C3)C4=NC=CC=N4)OC

DOS

IR

Vibrations