Geometry & MOs

Info

ID:

95980

PubChem CID:

50017910

Reduced:

FO4N5C39H42 (1)

Stoich.:

AB4C5D39E42 (1)

Weight, g/mol:

665.2013

ΔHf, kcal/mol:

-157.89

Dipole, Da:

9.18

IP(EA), eV:

 -8.84(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(dimethylcarbamoyl)phenyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations