Geometry & MOs

Info

ID:	417349
PubChem CID:	135092520
Reduced:	SO5N8C31H42 (1)
Stoich.:	AB5C8D31E42 (1)
Weight, g/mol:	324.241293
ΔH_f, kcal/mol:	-165.43
Dipole, Da:	4.56
IP(EA), eV:	-8.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-hydroxyethyl)piperidin-4-yl]-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCNCC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C

DOS

IR

Vibrations