Geometry & MOs

Info

ID:	56141
PubChem CID:	17422171
Reduced:	O2S2N3H15C16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	352.11246
ΔH_f, kcal/mol:	27.93
Dipole, Da:	7.22
IP(EA), eV:	-9.35(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(tert-butylamino)-6H-1,3,4-thiadiazin-5-yl]-3-methyl-1,3-dihydroindol-2-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(SC=C1)/C=C/2\C(=O)N(C(=C(C#N)C#N)S2)CCCOC

DOS

IR

Vibrations