Geometry & MOs

Info

ID:	237412
PubChem CID:	92719109
Reduced:	SO2N5H25C27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	497.188546
ΔH_f, kcal/mol:	49.2
Dipole, Da:	1.94
IP(EA), eV:	-9.03(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

DOS

IR

Vibrations