Geometry & MOs

Info

ID:	141092
PubChem CID:	52816873
Reduced:	S2N3O6C20H21 (1)
Stoich.:	A2B3C6D20E21 (1)
Weight, g/mol:	424.136925
ΔH_f, kcal/mol:	-126.38
Dipole, Da:	5.71
IP(EA), eV:	-8.91(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC(=O)N3CCSCC3

DOS

IR

Vibrations