Geometry & MOs

Info

ID:	32858
PubChem CID:	7848948
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	420.115521
ΔH_f, kcal/mol:	-124.66
Dipole, Da:	2.37
IP(EA), eV:	-8.86(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1S[C@@H](C)C3=CC=CC=C3)O

DOS

IR

Vibrations