Geometry & MOs

Info

ID:	427740
PubChem CID:	135161862
Reduced:	N2O2C13H26 (1)
Stoich.:	A2B2C13D26 (1)
Weight, g/mol:	329.085242
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	4.1
IP(EA), eV:	-8.9(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-4-(2-chloroethyl)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-6-methyl-2-oxo-2lambda4-thia-6-azabicyclo[3.2.0]hept-3-en-7-one

Drug info:

PubChemData

Smile

CC(C)C(COC)N(C=O)C1CCN(CC1)C

DOS

IR

Vibrations