Geometry & MOs

Info

ID:

114704

PubChem CID:

50493554

Reduced:

O3F4N4H28C29 (1)

Stoich.:

A3B4C4D28E29 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-252.43

Dipole, Da:

10.71

IP(EA), eV:

 -9.06(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(dimethylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)F)F)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations