Geometry & MOs

Info

ID:	79349
PubChem CID:	49748182
Reduced:	ClFSN2O5C25H28 (1)
Stoich.:	ABCD2E5F25G28 (1)
Weight, g/mol:	534.159136
ΔH_f, kcal/mol:	-223.2
Dipole, Da:	2.43
IP(EA), eV:	-9.55(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(2-methoxyphenyl)oxan-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC12N(CCO2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)C4(CCOCC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations