Geometry & MOs

Info

ID:

98014

PubChem CID:

50037984

Reduced:

ClF2O3N4C30H31 (1)

Stoich.:

AB2C3D4E30F31 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-178.62

Dipole, Da:

6.99

IP(EA), eV:

 -8.89(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations