Geometry & MOs

Info

ID:	43148
PubChem CID:	10318920
Reduced:	SO2N6H14C20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	402.167853
ΔH_f, kcal/mol:	64.51
Dipole, Da:	8.45
IP(EA), eV:	-9.08(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxycarbonyl-3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)O)C(=C1)NC3=NC(=O)N=C(N3)NC4=CC5=C(C=C4)N=CS5

DOS

IR

Vibrations