Geometry & MOs

Info

ID:

114032

PubChem CID:

50468683

Reduced:

ClF2O5N6C36H39 (1)

Stoich.:

AB2C5D6E36F39 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-261.41

Dipole, Da:

3.0

IP(EA), eV:

 -8.95(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations