Geometry & MOs

Info

ID:	64603
PubChem CID:	29203203
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	499.167811
ΔH_f, kcal/mol:	-25.99
Dipole, Da:	2.51
IP(EA), eV:	-9.14(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[(2-methoxyphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

DOS

IR

Vibrations