Geometry & MOs

Info

ID:	58135
PubChem CID:	24424271
Reduced:	S2N4O5C22H22 (1)
Stoich.:	A2B4C5D22E22 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	-100.33
Dipole, Da:	6.29
IP(EA), eV:	-9.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NNC(=O)C3=CC4=CC=CC=C4C=C3O

DOS

IR

Vibrations