Geometry & MOs

Info

ID:	389034
PubChem CID:	134990940
Reduced:	HgNSO2C5H9 (1)
Stoich.:	ABCD2E5F9 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-44.05
Dipole, Da:	4.96
IP(EA), eV:	-9.35(-2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[(1S,9R,10S,12S)-4-methoxy-11-oxa-18-azapentacyclo[7.6.3.01,10.02,7.010,12]octadeca-2(7),3,5-trien-18-yl]methanone

Drug info:

PubChemData

Smile

CC1([C@H](C(=O)O[Hg]S1)N)C

DOS

IR

Vibrations