Geometry & MOs

Info

ID:	156963
PubChem CID:	56394977
Reduced:	NSO6C23H23 (1)
Stoich.:	ABC6D23E23 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-176.96
Dipole, Da:	8.2
IP(EA), eV:	-8.75(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(N-methylanilino)ethyl]-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=C(OC2=CC=CC=C21)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations