Geometry & MOs

Info

ID:

108938

PubChem CID:

50265524

Reduced:

ClO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

687.266854

ΔHf, kcal/mol:

-120.81

Dipole, Da:

1.17

IP(EA), eV:

 -8.79(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(2-fluorobenzoyl)amino]-3-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations