Geometry & MOs

Info

ID:	416137
PubChem CID:	135089145
Reduced:	SO5N9C33H43 (1)
Stoich.:	AB5C9D33E43 (1)
Weight, g/mol:	305.179107
ΔH_f, kcal/mol:	-109.62
Dipole, Da:	6.14
IP(EA), eV:	-8.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)C2=CC=C(C=C2)CN3C=NN=N3)CC4=CC=CC=C4

DOS

IR

Vibrations