Geometry & MOs

Info

ID:	243572
PubChem CID:	99226920
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	393.110039
ΔH_f, kcal/mol:	-103.65
Dipole, Da:	3.77
IP(EA), eV:	-9.24(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[C@H](C)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations