Geometry & MOs

Info

ID:	156727
PubChem CID:	56371922
Reduced:	NSO3C8H10 (2)
Stoich.:	ABC3D8E10 (2)
Weight, g/mol:	403.150053
ΔH_f, kcal/mol:	-234.4
Dipole, Da:	5.09
IP(EA), eV:	-10.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C3=CC=CC=C3CS2(=O)=O

DOS

IR

Vibrations