Geometry & MOs

Info

ID:

114738

PubChem CID:

50494671

Reduced:

ClF2O5N6C33H35 (1)

Stoich.:

AB2C5D6E33F35 (1)

Weight, g/mol:

655.237303

ΔHf, kcal/mol:

-263.8

Dipole, Da:

15.15

IP(EA), eV:

 -9.13(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-1-[1-[3-[(3,4-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=CC(=C3)Cl)C(=O)N)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations