Geometry & MOs

Info

ID:	63306
PubChem CID:	26750556
Reduced:	S2N3O5C20H23 (1)
Stoich.:	A2B3C5D20E23 (1)
Weight, g/mol:	359.136887
ΔH_f, kcal/mol:	-122.45
Dipole, Da:	8.26
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CCC(=O)NNC(=O)/C=C/C3=CC=CS3

DOS

IR

Vibrations