Geometry & MOs

Info

ID:

110043

PubChem CID:

50306685

Reduced:

FO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

764.369761

ΔHf, kcal/mol:

-205.35

Dipole, Da:

8.04

IP(EA), eV:

 -8.36(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(2-methoxybenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C(=O)N

DOS

IR

Vibrations