Geometry & MOs

Info

ID:	32876
PubChem CID:	7849055
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	365.073322
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	3.77
IP(EA), eV:	-9.3(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl 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)C#N)O

DOS

IR

Vibrations