Geometry & MOs

Info

ID:	121445
PubChem CID:	50768270
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	459.093202
ΔH_f, kcal/mol:	9.22
Dipole, Da:	2.28
IP(EA), eV:	-8.55(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[[7-fluoro-4-(2-methylpropyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations