Geometry & MOs

Info

ID:	244738
PubChem CID:	99381284
Reduced:	SN2O2C9H9 (2)
Stoich.:	AB2C2D9E9 (2)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	6.0
IP(EA), eV:	-9.1(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=CC=CC=C2NC(=O)C3=CC=C(O3)S(=O)(=O)NC4CC4

DOS

IR

Vibrations