Geometry & MOs

Info

ID:

110126

PubChem CID:

50311501

Reduced:

F2N6O6C39H40 (1)

Stoich.:

A2B6C6D39E40 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-265.69

Dipole, Da:

8.48

IP(EA), eV:

 -8.4(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,4-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations