Geometry & MOs

Info

ID:

105573

PubChem CID:

50126481

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-225.37

Dipole, Da:

7.05

IP(EA), eV:

 -8.9(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)NCC(C)C

DOS

IR

Vibrations