Geometry & MOs

Info

ID:	422818
PubChem CID:	135118468
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	29.75
Dipole, Da:	5.43
IP(EA), eV:	-8.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)CN(CCO)CC3=C(NC=N3)C)C

DOS

IR

Vibrations