Geometry & MOs

Info

ID:	416315
PubChem CID:	135089328
Reduced:	SO5N6C32H38 (1)
Stoich.:	AB5C6D32E38 (1)
Weight, g/mol:	351.160121
ΔH_f, kcal/mol:	-149.81
Dipole, Da:	8.61
IP(EA), eV:	-9.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-ethoxyphenyl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=CC4=C(C=C3)SC=N4)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations