Geometry & MOs

Info

ID:	423175
PubChem CID:	135119051
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	381.19738
ΔH_f, kcal/mol:	-1.27
Dipole, Da:	1.43
IP(EA), eV:	-9.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(5-tert-butyl-2-methoxyphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CN(N=N3)C4=CC=CC=C4)OCC1

DOS

IR

Vibrations