Geometry & MOs

Info

ID:	155762
PubChem CID:	56367431
Reduced:	ClSO2N6H17C18 (1)
Stoich.:	ABC2D6E17F18 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	15.9
Dipole, Da:	4.58
IP(EA), eV:	-9.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)NCC(=O)NC3=CN=CC=C3)Cl

DOS

IR

Vibrations