Geometry & MOs

Info

ID:

95403

PubChem CID:

50009051

Reduced:

FO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-272.06

Dipole, Da:

7.38

IP(EA), eV:

 -8.74(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4

DOS

IR

Vibrations