Geometry & MOs

Info

ID:	49545
PubChem CID:	11533214
Reduced:	N5O5H25C26 (1)
Stoich.:	A5B5C25D26 (1)
Weight, g/mol:	487.210721
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	3.41
IP(EA), eV:	-8.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-2-[(7S,11R)-2,4-dimethyl-1,3,5-trioxo-7,11-diphenyl-2,4-diazaspiro[5.5]undecan-9-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)NC3=C4C(=NC=N3)N(C=N4)[C@H]5C[C@@H]([C@H](O5)CO)O

DOS

IR

Vibrations