Geometry & MOs

Info

ID:	180246
PubChem CID:	76604115
Reduced:	O3F4N5C18H19 (1)
Stoich.:	A3B4C5D18E19 (1)
Weight, g/mol:	363.134282
ΔH_f, kcal/mol:	-260.8
Dipole, Da:	2.43
IP(EA), eV:	-9.72(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-1-methyl-N-[1-(methylamino)-4-nitro-1-oxo-3-phenylbutan-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C(C(CNC(=O)C(F)(F)F)C1=CC=CC=C1)NC(=O)C2=CN(N=C2F)C

DOS

IR

Vibrations