Geometry & MOs

Info

ID:	334525
PubChem CID:	127253200
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	485.135363
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	4.52
IP(EA), eV:	-9.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]-N-pyridin-2-ylpropanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=N2)C(=O)C[C@@H]3C(=O)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations