Geometry & MOs

Info

ID:	415841
PubChem CID:	135088843
Reduced:	ClOSN2C17H21 (1)
Stoich.:	ABCD2E17F21 (1)
Weight, g/mol:	343.100892
ΔH_f, kcal/mol:	-33.72
Dipole, Da:	7.29
IP(EA), eV:	-8.34(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(3-chloro-2-methylphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC4=C(S3)C=C(C=C4)Cl)O

DOS

IR

Vibrations