Geometry & MOs

Info

ID:	193074
PubChem CID:	78338149
Reduced:	SO4N5H19C20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	471.118753
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	1.13
IP(EA), eV:	-9.36(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CN(C)CC3=NC(=O)C4C=CC=CC4=N3)C(=O)OC

DOS

IR

Vibrations