Geometry & MOs

Info

ID:	159661
PubChem CID:	57288596
Reduced:	ClO4H17C23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	277.033956
ΔH_f, kcal/mol:	-101.98
Dipole, Da:	5.25
IP(EA), eV:	-9.56(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(5-amino-2-chloro-4-fluorophenyl)-2-sulfanylacetate

Drug info:

PubChemData

Smile

C1C(C(=O)C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)Cl)C(=O)O)CC4=CC=CC=C4

DOS

IR

Vibrations