Geometry & MOs

Info

ID:	419943
PubChem CID:	135109983
Reduced:	SN2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	340.236208
ΔH_f, kcal/mol:	-162.56
Dipole, Da:	6.39
IP(EA), eV:	-9.4(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2C[C@H]([C@H](C2)O)CS(=O)(=O)N(C)C

DOS

IR

Vibrations