Geometry & MOs

Info

ID:	335137
PubChem CID:	127253998
Reduced:	N5O5H19C21 (1)
Stoich.:	A5B5C19D21 (1)
Weight, g/mol:	561.322101
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	2.89
IP(EA), eV:	-9.07(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-(hexadecylamino)-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=NOC(=N2)CNC(=O)C[C@H]3C(=O)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations