Geometry & MOs

Info

ID:	368135
PubChem CID:	127327672
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-103.95
Dipole, Da:	7.7
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)S(=O)(=O)C2=CC3=C(CCNC3=O)C=C2

DOS

IR

Vibrations