Geometry & MOs

Info

ID:	54286
PubChem CID:	16957648
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	437.098017
ΔH_f, kcal/mol:	-53.99
Dipole, Da:	7.44
IP(EA), eV:	-8.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC(=O)C3=C(N2)CCC3

DOS

IR

Vibrations