Geometry & MOs

Info

ID:	418938
PubChem CID:	135107163
Reduced:	N5O6C33H37 (1)
Stoich.:	A5B6C33D37 (1)
Weight, g/mol:	375.090722
ΔH_f, kcal/mol:	16.84
Dipole, Da:	8.2
IP(EA), eV:	-4.87(-3.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-(3-chlorophenyl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)N3CCOCCOC4=CC=C(C=C4)C5C6=CC(=C(C=C6CCN5C(=O)C3)OC)OC

DOS

IR

Vibrations