Geometry & MOs

Info

ID:	207790
PubChem CID:	80449908
Reduced:	OSN3C16H31 (1)
Stoich.:	ABC3D16E31 (1)
Weight, g/mol:	322.117356
ΔH_f, kcal/mol:	-57.4
Dipole, Da:	4.92
IP(EA), eV:	-8.3(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-butan-2-yl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]methanol

Drug info:

PubChemData

Smile

CCC(C)C1=C(SC(=N1)N(CCN(C)C)CC(C)C)CO

DOS

IR

Vibrations