Geometry & MOs

Info

ID:

114137

PubChem CID:

50473144

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-181.57

Dipole, Da:

6.14

IP(EA), eV:

 -8.95(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC=C3)Cl)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations