Geometry & MOs

Info

ID:

114086

PubChem CID:

50471126

Reduced:

ClF2O5N6H35C37 (1)

Stoich.:

AB2C5D6E35F37 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-228.02

Dipole, Da:

7.83

IP(EA), eV:

 -9.04(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations