Geometry & MOs

Info

ID:

104331

PubChem CID:

50104048

Reduced:

FCl2O4N5C34H36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-185.81

Dipole, Da:

8.15

IP(EA), eV:

 -8.99(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC(=C5)Cl)Cl

DOS

IR

Vibrations