Geometry & MOs

Info

ID:

109574

PubChem CID:

50288996

Reduced:

F2N5O5H35C36 (1)

Stoich.:

A2B5C5D35E36 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-218.53

Dipole, Da:

10.51

IP(EA), eV:

 -8.43(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(3-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)F)OC

DOS

IR

Vibrations