Geometry & MOs

Info

ID:	58134
PubChem CID:	24424269
Reduced:	SCl2O2N3H13C18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	486.103162
ΔH_f, kcal/mol:	-2.62
Dipole, Da:	8.65
IP(EA), eV:	-8.82(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=S)NC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations