Geometry & MOs

Info

ID:	354911
PubChem CID:	127287671
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	-93.5
Dipole, Da:	5.59
IP(EA), eV:	-9.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-1-propan-2-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=O)N=C1SCCN2C(=O)CNC2=O

DOS

IR

Vibrations