Geometry & MOs

Info

ID:	244223
PubChem CID:	99319468
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-72.33
Dipole, Da:	6.7
IP(EA), eV:	-7.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]-3,4-dihydro-2H-isoquinoline-7-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@H]1CCCN(C1)C(=O)CN2C(=CC(=C2C)C3=CSC(=N3)C)C

DOS

IR

Vibrations