Geometry & MOs

Info

ID:

119687

PubChem CID:

50696376

Reduced:

ClN3O3C19H25 (2)

Stoich.:

AB3C3D19E25 (2)

Weight, g/mol:

764.285589

ΔHf, kcal/mol:

-272.31

Dipole, Da:

6.83

IP(EA), eV:

 -8.9(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CCCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations