Geometry & MOs

Info

ID:	20380
PubChem CID:	583624
Reduced:	O2S2C7H12 (1)
Stoich.:	A2B2C7D12 (1)
Weight, g/mol:	192.027872
ΔH_f, kcal/mol:	-96.18
Dipole, Da:	2.52
IP(EA), eV:	-8.73(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,3-dithian-2-yl)methyl formate

Drug info:

PubChemData

Smile

CC1(SCCCS1)COC=O

DOS

IR

Vibrations