Geometry & MOs

Info

ID:	58138
PubChem CID:	24424280
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-67.11
Dipole, Da:	9.57
IP(EA), eV:	-8.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(1-methoxypropan-2-yl)thiourea

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O

DOS

IR

Vibrations