Geometry & MOs

Info

ID:

107732

PubChem CID:

50216717

Reduced:

O3N4C27H36 (1)

Stoich.:

A3B4C27D36 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-115.15

Dipole, Da:

7.23

IP(EA), eV:

 -8.81(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(C)C

DOS

IR

Vibrations