Geometry & MOs

Info

ID:

114088

PubChem CID:

50471128

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

619.260626

ΔHf, kcal/mol:

-235.97

Dipole, Da:

7.59

IP(EA), eV:

 -8.79(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-1-oxopropan-2-yl]-1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations