Geometry & MOs

Info

ID:	263197
PubChem CID:	103345286
Reduced:	NOS2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	274.051979
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	3.33
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylthiophen-2-yl)methanol

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(C2CCC3=C2N=CC=C3)O)C

DOS

IR

Vibrations