Geometry & MOs

Info

ID:	367504
PubChem CID:	127324836
Reduced:	SN3O4C10H15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	342.124943
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	8.18
IP(EA), eV:	-9.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxyphenyl)methyl]-3-(1,1-dioxothian-3-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations