Geometry & MOs

Info

ID:	56142
PubChem CID:	17422174
Reduced:	ClOSN4C16H21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-28.6
Dipole, Da:	6.66
IP(EA), eV:	-8.66(-0.66)
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

Drug info:

PubChemData

Smile

CC1C2=C(C=CC(=C2)C3=NN=C(SC3)NC(C)(C)C)NC1=O.Cl

DOS

IR

Vibrations