Geometry & MOs

Info

ID:

98332

PubChem CID:

50042770

Reduced:

F3N6O6H37C38 (1)

Stoich.:

A3B6C6D37E38 (1)

Weight, g/mol:

726.297739

ΔHf, kcal/mol:

-300.48

Dipole, Da:

11.16

IP(EA), eV:

 -8.74(-0.59)

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-[4-methoxy-3-[(2-methylbenzoyl)amino]anilino]-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)OC)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations