Geometry & MOs

Info

ID:

113239

PubChem CID:

50436856

Reduced:

ClF2O5N6C36H41 (1)

Stoich.:

AB2C5D6E36F41 (1)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-289.38

Dipole, Da:

8.01

IP(EA), eV:

 -8.86(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-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)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC(C)C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations