Geometry & MOs

Info

ID:	423785
PubChem CID:	135120213
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-174.39
Dipole, Da:	2.32
IP(EA), eV:	-9.18(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations