Geometry & MOs

Info

ID:	35268
PubChem CID:	7979604
Reduced:	SN3O6C15H21 (1)
Stoich.:	AB3C6D15E21 (1)
Weight, g/mol:	323.130363
ΔH_f, kcal/mol:	-231.86
Dipole, Da:	5.11
IP(EA), eV:	-10.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC

DOS

IR

Vibrations