Geometry & MOs

Info

ID:	334569
PubChem CID:	127253244
Reduced:	NO6H21C22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	539.120776
ΔH_f, kcal/mol:	-168.98
Dipole, Da:	4.55
IP(EA), eV:	-8.5(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]phenyl]tetrazol-2-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCOCCO)OC

DOS

IR

Vibrations