Geometry & MOs

Info

ID:

113371

PubChem CID:

50441425

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

758.303968

ΔHf, kcal/mol:

-267.69

Dipole, Da:

5.41

IP(EA), eV:

 -8.87(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)OC)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations