Geometry & MOs

Info

ID:

97320

PubChem CID:

50030306

Reduced:

ClF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-268.75

Dipole, Da:

7.55

IP(EA), eV:

 -8.78(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)Cl

DOS

IR

Vibrations