Geometry & MOs

Info

ID:

106968

PubChem CID:

50183575

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-234.3

Dipole, Da:

8.24

IP(EA), eV:

 -8.78(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(propanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC=C4C(=O)NCC(C)C)C)C

DOS

IR

Vibrations