Geometry & MOs

Info

ID:	419408
PubChem CID:	135108127
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	353.16608
ΔH_f, kcal/mol:	-153.17
Dipole, Da:	6.15
IP(EA), eV:	-8.36(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN2C[C@@H]3COC[C@H](C2)NC3=O)OC(C)C

DOS

IR

Vibrations