Geometry & MOs

Info

ID:

107135

PubChem CID:

50191033

Reduced:

F2N5O5C38H39 (1)

Stoich.:

A2B5C5D38E39 (1)

Weight, g/mol:

683.291926

ΔHf, kcal/mol:

-232.78

Dipole, Da:

7.13

IP(EA), eV:

 -8.3(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methoxy-4-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)OC

DOS

IR

Vibrations