Geometry & MOs

Info

ID:	368128
PubChem CID:	127327665
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	367.120192
ΔH_f, kcal/mol:	-113.53
Dipole, Da:	7.97
IP(EA), eV:	-8.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide

Drug info:

PubChemData

Smile

CN(CCNS(=O)(=O)C1=CC2=C(CCNC2=O)C=C1)C3CCCCC3

DOS

IR

Vibrations