Geometry & MOs

Info

ID:

95740

PubChem CID:

50013233

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-261.88

Dipole, Da:

10.34

IP(EA), eV:

 -9.12(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations