Geometry & MOs

Info

ID:	56144
PubChem CID:	17422178
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	380.107375
ΔH_f, kcal/mol:	-102.53
Dipole, Da:	8.77
IP(EA), eV:	-8.97(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2-methylcyclohexyl)amino]-6H-1,3,4-thiadiazin-5-yl]-3H-1,3-benzoxazol-2-one;hydrochloride

Drug info:

PubChemData

Smile

CCCN1C(=CC(=O)N=C1SCC2=CC3=C(C=C2)OCO3)O

DOS

IR

Vibrations