Geometry & MOs

Info

ID:	69528
PubChem CID:	47193705
Reduced:	N3O3F5H6C9 (1)
Stoich.:	A3B3C5D6E9 (1)
Weight, g/mol:	294.078662
ΔH_f, kcal/mol:	-293.41
Dipole, Da:	2.65
IP(EA), eV:	-9.91(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoylamino]carbamate

Drug info:

PubChemData

Smile

COC(=O)NNC(=O)NC1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations