Geometry & MOs

Info

ID:	58136
PubChem CID:	24424274
Reduced:	SO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	-6.83
Dipole, Da:	2.81
IP(EA), eV:	-8.61(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O)C

DOS

IR

Vibrations