Geometry & MOs

Info

ID:	398792
PubChem CID:	135035428
Reduced:	N2S2O5H22C23 (1)
Stoich.:	A2B2C5D22E23 (1)
Weight, g/mol:	459.225702
ΔH_f, kcal/mol:	-111.56
Dipole, Da:	5.55
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(E)-heptan-2-yloxyiminomethyl]-2,4,6-trimethoxyphenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)NC(=O)C4CC4

DOS

IR

Vibrations