Geometry & MOs

Info

ID:	414908
PubChem CID:	135087880
Reduced:	O3N4C18H24 (2)
Stoich.:	A3B4C18D24 (2)
Weight, g/mol:	308.140593
ΔH_f, kcal/mol:	-193.14
Dipole, Da:	5.5
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3,4-dihydroxy-N,N,4-trimethyl-1-oxa-9-azaspiro[5.5]undecane-9-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)CN4N=C5C=CC=CC5=N4)C(C)C

DOS

IR

Vibrations