Geometry & MOs

Info

ID:

115324

PubChem CID:

50518970

Reduced:

Cl2O4N5C29H29 (1)

Stoich.:

A2B4C5D29E29 (1)

Weight, g/mol:

649.283111

ΔHf, kcal/mol:

-131.68

Dipole, Da:

10.69

IP(EA), eV:

 -8.9(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations