Geometry & MOs

Info

ID:	138807
PubChem CID:	52427664
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	407.095807
ΔH_f, kcal/mol:	-56.1
Dipole, Da:	5.12
IP(EA), eV:	-9.35(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-4-(propanoylamino)phenyl]sulfanylethyl 2-methoxy-3-methylbenzoate

Drug info:

PubChemData

Smile

CN1[C@@H]([C@H](CCC1=O)C(=O)NCC=C)C2=CC=CC=C2

DOS

IR

Vibrations