Geometry & MOs

Info

ID:

109969

PubChem CID:

50303490

Reduced:

N6O6C37H46 (1)

Stoich.:

A6B6C37D46 (1)

Weight, g/mol:

674.322811

ΔHf, kcal/mol:

-206.17

Dipole, Da:

6.23

IP(EA), eV:

 -8.78(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N(C)C

DOS

IR

Vibrations