Geometry & MOs

Info

ID:	237411
PubChem CID:	92719107
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	483.172896
ΔH_f, kcal/mol:	-53.84
Dipole, Da:	7.39
IP(EA), eV:	-9.5(-1.17)
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-methyl-N-[(1R)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2)N(N=N3)CC

DOS

IR

Vibrations