Geometry & MOs

Info

ID:	36725
PubChem CID:	8011891
Reduced:	OS2N5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	104.22
Dipole, Da:	3.61
IP(EA), eV:	-8.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=NN=C(S2)SCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations