Geometry & MOs

Info

ID:	302155
PubChem CID:	124349703
Reduced:	N3O5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	402.134635
ΔH_f, kcal/mol:	-204.83
Dipole, Da:	4.17
IP(EA), eV:	-9.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1'S,2R,5'R,6'R)-6-chloro-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)CN2C[C@]3(CCC(=O)N(CC3)C)OC4=CC=CC=C4C2=O

DOS

IR

Vibrations