Geometry & MOs

Info

ID:

95829

PubChem CID:

50015506

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

623.323833

ΔHf, kcal/mol:

-181.29

Dipole, Da:

2.32

IP(EA), eV:

 -8.78(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)C)F

DOS

IR

Vibrations