Geometry & MOs

Info

ID:

115815

PubChem CID:

50534851

Reduced:

ClN5O5C35H42 (1)

Stoich.:

AB5C5D35E42 (1)

Weight, g/mol:

643.26921

ΔHf, kcal/mol:

-181.05

Dipole, Da:

7.18

IP(EA), eV:

 -8.19(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclohexanecarbonylamino)phenyl]-1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C)OC

DOS

IR

Vibrations