Geometry & MOs

Info

ID:

118950

PubChem CID:

50664452

Reduced:

Cl2O4N5C34H43 (1)

Stoich.:

A2B4C5D34E43 (1)

Weight, g/mol:

643.232825

ΔHf, kcal/mol:

-177.93

Dipole, Da:

8.12

IP(EA), eV:

 -9.2(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)Cl)Cl

DOS

IR

Vibrations