Geometry & MOs

Info

ID:	161660
PubChem CID:	57392272
Reduced:	NC23H37 (1)
Stoich.:	AB23C37 (1)
Weight, g/mol:	490.053625
ΔH_f, kcal/mol:	-22.51
Dipole, Da:	1.69
IP(EA), eV:	-8.9(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)NCC=C

DOS

IR

Vibrations