Geometry & MOs

Info

ID:

112134

PubChem CID:

50396250

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

655.26921

ΔHf, kcal/mol:

-226.26

Dipole, Da:

6.17

IP(EA), eV:

 -8.61(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-1-[1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)NC(=O)C(C)C)C(=O)NC4CCCC4

DOS

IR

Vibrations