Geometry & MOs

Info

ID:	58063
PubChem CID:	24423837
Reduced:	ClS2N3O3C18H26 (1)
Stoich.:	AB2C3D3E18F26 (1)
Weight, g/mol:	381.056546
ΔH_f, kcal/mol:	-111.09
Dipole, Da:	10.03
IP(EA), eV:	-8.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-(2-nitro-4-sulfamoylanilino)thiourea

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=S)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations