Geometry & MOs

Info

ID:	268219
PubChem CID:	103598445
Reduced:	ClSO2N3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	276.068097
ΔH_f, kcal/mol:	-10.78
Dipole, Da:	1.21
IP(EA), eV:	-9.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,3-benzothiazol-2-yl)prop-2-enoylamino]-3-methylurea

Drug info:

PubChemData

Smile

CNC(=O)NNC(=O)C=CC1=CC=C(S1)C2=CC=CC=C2Cl

DOS

IR

Vibrations