Geometry & MOs

Info

ID:

106085

PubChem CID:

50148678

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-178.21

Dipole, Da:

6.12

IP(EA), eV:

 -8.92(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2,5-difluorophenyl)carbamoyl]phenyl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations