Geometry & MOs

Info

ID:	155475
PubChem CID:	56365778
Reduced:	SO4N5C23H29 (1)
Stoich.:	AB4C5D23E29 (1)
Weight, g/mol:	476.278741
ΔH_f, kcal/mol:	-115.25
Dipole, Da:	7.14
IP(EA), eV:	-7.84(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylphenyl)methyl]-5-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC=CN4C3=NS(=O)(=O)CC4

DOS

IR

Vibrations