Geometry & MOs

Info

ID:	442476
PubChem CID:	135252357
Reduced:	NSO4H25C30 (1)
Stoich.:	ABC4D25E30 (1)
Weight, g/mol:	501.143236
ΔH_f, kcal/mol:	4.72
Dipole, Da:	4.51
IP(EA), eV:	-8.79(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-[4-[4-(3-ethyl-1-benzothiophene-2-carbonyl)phenyl]sulfanylphenyl]butylideneamino] acetate

Drug info:

PubChemData

Smile

CC#CCCC1=CC2=C(C=C1)C=C(O2)C(=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)C(=NOC(=O)C)C

DOS

IR

Vibrations