Geometry & MOs

Info

ID:

111881

PubChem CID:

50385262

Reduced:

ClN6O6C35H45 (1)

Stoich.:

AB6C6D35E45 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-250.84

Dipole, Da:

9.16

IP(EA), eV:

 -8.85(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4CCCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations