Geometry & MOs

Info

ID:	368133
PubChem CID:	127327670
Reduced:	SN4O5C16H18 (1)
Stoich.:	AB4C5D16E18 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-176.17
Dipole, Da:	7.58
IP(EA), eV:	-9.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-methylpyrrolidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CN1C(=O)C2(CCN(C2)S(=O)(=O)C3=CC4=C(CCNC4=O)C=C3)NC1=O

DOS

IR

Vibrations