Geometry & MOs

Info

ID:	246634
PubChem CID:	103064100
Reduced:	SN2O3C14H24 (1)
Stoich.:	AB2C3D14E24 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	6.26
IP(EA), eV:	-8.82(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(thiolan-3-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C(=O)NC1CCSC1)C2(CCCCC2)CC(=O)O

DOS

IR

Vibrations