Geometry & MOs

Info

ID:

112231

PubChem CID:

50399387

Reduced:

F3O4N5C35H40 (1)

Stoich.:

A3B4C5D35E40 (1)

Weight, g/mol:

651.303239

ΔHf, kcal/mol:

-279.35

Dipole, Da:

8.22

IP(EA), eV:

 -9.03(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations