Geometry & MOs

Info

ID:

116888

PubChem CID:

50579598

Reduced:

Cl2O5N6C38H50 (1)

Stoich.:

A2B5C6D38E50 (1)

Weight, g/mol:

714.306324

ΔHf, kcal/mol:

-244.35

Dipole, Da:

14.41

IP(EA), eV:

 -9.0(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(butan-2-ylcarbamoyl)-3-chloroanilino]-3-oxopropyl]-1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCCC5)Cl)Cl

DOS

IR

Vibrations