Geometry & MOs

Info

ID:	121463
PubChem CID:	50769025
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	473.132174
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	3.69
IP(EA), eV:	-9.3(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN(C4=O)CC(=O)NC5CCCCC5

DOS

IR

Vibrations