Geometry & MOs

Info

ID:	240980
PubChem CID:	93618750
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-12.34
Dipole, Da:	2.63
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)N2C=NC=N2)N(C)CCC(=O)N3CCOCC3

DOS

IR

Vibrations