Geometry & MOs

Info

ID:	64082
PubChem CID:	29196045
Reduced:	FSN3O3H22C24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	4.64
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

COCCN1C(=O)[C@@H](SC1=NC2=CC=CC3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations