Geometry & MOs

Info

ID:	265622
PubChem CID:	103533747
Reduced:	SN2O2C8H16 (1)
Stoich.:	AB2C2D8E16 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-73.63
Dipole, Da:	6.33
IP(EA), eV:	-8.46(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

COC1CN(CC1OC)CC(=S)N

DOS

IR

Vibrations