Geometry & MOs

Info

ID:	244527
PubChem CID:	99360853
Reduced:	FSO4N5C20H28 (1)
Stoich.:	ABC4D5E20F28 (1)
Weight, g/mol:	419.199111
ΔH_f, kcal/mol:	-175.69
Dipole, Da:	8.24
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C2=C(C=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CN(C(=N3)C)C)F

DOS

IR

Vibrations