Geometry & MOs

Info

ID:	156914
PubChem CID:	56394863
Reduced:	S2N3O4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	430.258006
ΔH_f, kcal/mol:	-91.58
Dipole, Da:	2.96
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[cyclohexyl(methyl)amino]propyl]-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)CS(=O)(=O)C

DOS

IR

Vibrations