Geometry & MOs

Info

ID:

114737

PubChem CID:

50494670

Reduced:

BrF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

668.232552

ΔHf, kcal/mol:

-258.8

Dipole, Da:

8.28

IP(EA), eV:

 -9.06(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-carbamoyl-5-chloroanilino)-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=CC(=C(C=C3)Br)C(=O)NC)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations