Geometry & MOs

Info

ID:	415716
PubChem CID:	135088716
Reduced:	N4O4C19H28 (1)
Stoich.:	A4B4C19D28 (1)
Weight, g/mol:	379.120192
ΔH_f, kcal/mol:	-105.21
Dipole, Da:	5.15
IP(EA), eV:	-8.29(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-oxo-2H-isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)C(=O)C2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations