Geometry & MOs

Info

ID:	131614
PubChem CID:	51235216
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	390.129652
ΔH_f, kcal/mol:	-134.92
Dipole, Da:	1.36
IP(EA), eV:	-9.05(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NC(C)(C)C

DOS

IR

Vibrations