Geometry & MOs

Info

ID:

114135

PubChem CID:

50473131

Reduced:

F2O5N6C33H36 (1)

Stoich.:

A2B5C6D33E36 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-256.92

Dipole, Da:

9.69

IP(EA), eV:

 -8.58(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations