Geometry & MOs

Info

ID:	414637
PubChem CID:	135087596
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	6.97
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C=C2C(=O)N3C[C@H]([C@H](C3)OC)CC4=CC(=NO4)C

DOS

IR

Vibrations