Geometry & MOs

Info

ID:	27470
PubChem CID:	821504
Reduced:	NS2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	327.078996
ΔH_f, kcal/mol:	57.68
Dipole, Da:	2.76
IP(EA), eV:	-7.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,1,3-benzothiadiazol-4-yl)-3-[(4-methoxyphenyl)methylideneamino]urea

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=C(CC2=NC(C)C)SC

DOS

IR

Vibrations