Geometry & MOs

Info

ID:	121464
PubChem CID:	50769093
Reduced:	FSO2N5H20C25 (1)
Stoich.:	ABC2D5E20F25 (1)
Weight, g/mol:	485.152161
ΔH_f, kcal/mol:	5.04
Dipole, Da:	6.72
IP(EA), eV:	-9.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

DOS

IR

Vibrations