Geometry & MOs

Info

ID:

99062

PubChem CID:

50047995

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-268.86

Dipole, Da:

4.8

IP(EA), eV:

 -8.9(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations