Geometry & MOs

Info

ID:

100384

PubChem CID:

50060723

Reduced:

O4N5C34H39 (1)

Stoich.:

A4B5C34D39 (1)

Weight, g/mol:

784.356003

ΔHf, kcal/mol:

-120.77

Dipole, Da:

10.26

IP(EA), eV:

 -8.62(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)C

DOS

IR

Vibrations