Geometry & MOs

Info

ID:

98331

PubChem CID:

50042767

Reduced:

F2N6O6C33H36 (1)

Stoich.:

A2B6C6D33E36 (1)

Weight, g/mol:

730.272667

ΔHf, kcal/mol:

-292.87

Dipole, Da:

10.25

IP(EA), eV:

 -8.21(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(2-fluorobenzoyl)amino]-4-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C)OC

DOS

IR

Vibrations