Geometry & MOs

Info

ID:

117431

PubChem CID:

50602543

Reduced:

Cl2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

716.308911

ΔHf, kcal/mol:

-180.11

Dipole, Da:

6.75

IP(EA), eV:

 -8.76(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations