Geometry & MOs

Info

ID:	81762
PubChem CID:	49855114
Reduced:	ON2C24H24 (1)
Stoich.:	AB2C24D24 (1)
Weight, g/mol:	372.005944
ΔH_f, kcal/mol:	22.27
Dipole, Da:	3.77
IP(EA), eV:	-8.11(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3-benzothiadiazol-6-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2NC1=O)CC3=CC=C(C=C3)N(C)CC4=CC=CC=C4

DOS

IR

Vibrations