Geometry & MOs

Info

ID:	58139
PubChem CID:	24424281
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	486.139548
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	3.06
IP(EA), eV:	-8.59(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea

Drug info:

PubChemData

Smile

CC(COC)NC(=S)NNC(=O)C1=CC2=CC=CC=C2C=C1O

DOS

IR

Vibrations