Geometry & MOs

Info

ID:	145320
PubChem CID:	53499909
Reduced:	SO3N5C13H13 (1)
Stoich.:	AB3C5D13E13 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-46.23
Dipole, Da:	3.28
IP(EA), eV:	-8.97(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-acetyl-N-(6-methoxypyridin-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)NC3=NN=CS3

DOS

IR

Vibrations