Geometry & MOs

Info

ID:	418112
PubChem CID:	135103598
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-167.82
Dipole, Da:	6.56
IP(EA), eV:	-9.15(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)CCC2=CC=C(C=C2)O

DOS

IR

Vibrations