Geometry & MOs

Info

ID:	194214
PubChem CID:	78498526
Reduced:	ClSN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	370.067051
ΔH_f, kcal/mol:	-91.0
Dipole, Da:	3.94
IP(EA), eV:	-8.46(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4aH-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(S2)NC(NC3=O)COC(=O)C=CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations