Geometry & MOs

Info

ID:	198061
PubChem CID:	79040348
Reduced:	FNS2O4H8C11 (1)
Stoich.:	ABC2D4E8F11 (1)
Weight, g/mol:	296.094312
ΔH_f, kcal/mol:	-145.88
Dipole, Da:	1.19
IP(EA), eV:	-8.76(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methylthiophen-2-yl)methylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)F)S(=O)(=O)NC2=CSC=C2

DOS

IR

Vibrations