Geometry & MOs

Info

ID:	196803
PubChem CID:	78880302
Reduced:	ClNO2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	429.077025
ΔH_f, kcal/mol:	-142.33
Dipole, Da:	2.54
IP(EA), eV:	-9.13(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-[2,4-bis(difluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)COC1=C(C=C(C=C1)CNC(=O)C2CC2(Cl)Cl)OC

DOS

IR

Vibrations