Geometry & MOs

Info

ID:	63801
PubChem CID:	26759213
Reduced:	SN3O8C21H23 (1)
Stoich.:	AB3C8D21E23 (1)
Weight, g/mol:	391.064507
ΔH_f, kcal/mol:	-206.42
Dipole, Da:	6.95
IP(EA), eV:	-9.32(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)[N+](=O)[O-]

DOS

IR

Vibrations