Geometry & MOs

Info

ID:	175750
PubChem CID:	75943189
Reduced:	N3O4C22H35 (1)
Stoich.:	A3B4C22D35 (1)
Weight, g/mol:	426.208947
ΔH_f, kcal/mol:	-184.04
Dipole, Da:	4.58
IP(EA), eV:	-8.11(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CCCOCCOC

DOS

IR

Vibrations