Geometry & MOs

Info

ID:

98086

PubChem CID:

50039301

Reduced:

F2N4O5C31H34 (1)

Stoich.:

A2B4C5D31E34 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-243.12

Dipole, Da:

6.96

IP(EA), eV:

 -8.55(-0.63)

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-[4-[(3-fluorophenyl)carbamoyl]anilino]-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=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations