Geometry & MOs

Info

ID:	36879
PubChem CID:	8014208
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	401.16608
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	5.23
IP(EA), eV:	-8.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=C(C=C(C=C2)SC)OC

DOS

IR

Vibrations