Geometry & MOs

Info

ID:	345972
PubChem CID:	127270272
Reduced:	S2N3O3C13H23 (1)
Stoich.:	A2B3C3D13E23 (1)
Weight, g/mol:	381.118084
ΔH_f, kcal/mol:	-107.7
Dipole, Da:	3.6
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC1)C(=O)C2CSCN2S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations