Geometry & MOs

Info

ID:	367603
PubChem CID:	127325092
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-14.65
Dipole, Da:	6.85
IP(EA), eV:	-8.96(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)NC3CCCC4=C3C=CC(=O)N4

DOS

IR

Vibrations