Geometry & MOs

Info

ID:

91537

PubChem CID:

49976690

Reduced:

N6O7C35H46 (1)

Stoich.:

A6B7C35D46 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-275.48

Dipole, Da:

10.19

IP(EA), eV:

 -8.97(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOCC2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations