Geometry & MOs

Info

ID:

114816

PubChem CID:

50497356

Reduced:

ClF2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-214.75

Dipole, Da:

10.11

IP(EA), eV:

 -9.11(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations