Geometry & MOs

Info

ID:	399478
PubChem CID:	135040483
Reduced:	NO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-49.6
Dipole, Da:	6.21
IP(EA), eV:	-8.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-prop-2-enyl 3,4-dimethoxybenzenecarbothioate

Drug info:

PubChemData

Smile

C1C2COC(=O)C2CC3=C1NC4=CC=CC=C34

DOS

IR

Vibrations