Geometry & MOs

Info

ID:

91743

PubChem CID:

49978575

Reduced:

N6O7C39H48 (1)

Stoich.:

A6B7C39D48 (1)

Weight, g/mol:

716.308911

ΔHf, kcal/mol:

-256.34

Dipole, Da:

7.11

IP(EA), eV:

 -8.15(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations