Geometry & MOs

Info

ID:

117327

PubChem CID:

50598235

Reduced:

ClN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-235.34

Dipole, Da:

11.93

IP(EA), eV:

 -9.02(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations