Geometry & MOs

Info

ID:	32868
PubChem CID:	7849010
Reduced:	SN3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	414.045249
ΔH_f, kcal/mol:	-184.0
Dipole, Da:	5.61
IP(EA), eV:	-9.1(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloroanilino)-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=C1SCC(=O)NC)O

DOS

IR

Vibrations