Geometry & MOs

Info

ID:	431959
PubChem CID:	135172087
Reduced:	SF3O3N4C25H35 (1)
Stoich.:	AB3C3D4E25F35 (1)
Weight, g/mol:	159.071785
ΔH_f, kcal/mol:	-264.48
Dipole, Da:	7.82
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,5,5-trimethyl-2H-thiophen-4-ol

Drug info:

PubChemData

Smile

CCC(C)CN(C1CCC(CC1)O)C2=C(C=C(C=C2)[C@H](C)CC(=O)OC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations