Geometry & MOs

Info

ID:	303208
PubChem CID:	124489358
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-53.82
Dipole, Da:	5.29
IP(EA), eV:	-9.11(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-isoquinolin-5-ylsulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)S(=O)(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations