Geometry & MOs

Info

ID:	131753
PubChem CID:	51258613
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	34.32
Dipole, Da:	3.57
IP(EA), eV:	-9.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=NN=N2)SCC(=O)NOCC3=CC=CC=C3

DOS

IR

Vibrations