Geometry & MOs

Info

ID:	421068
PubChem CID:	135115311
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	377.06192
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	3.39
IP(EA), eV:	-8.26(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(2,5-dichlorophenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NCCC3CCOC3

DOS

IR

Vibrations