Geometry & MOs

Info

ID:

117173

PubChem CID:

50593939

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

674.261961

ΔHf, kcal/mol:

-225.98

Dipole, Da:

9.67

IP(EA), eV:

 -8.89(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-[4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5F)Cl

DOS

IR

Vibrations