Geometry & MOs

Info

ID:	434243
PubChem CID:	135174485
Reduced:	ClO3N5C27H30 (1)
Stoich.:	AB3C5D27E30 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-45.11
Dipole, Da:	5.07
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4,6-dimethyl-2-oxo-2lambda4-thia-6-azabicyclo[3.2.0]heptane-3,7-dione

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C(=O)NC2CCCC3=CC=CC=C23)N4CCC(CC4)OC5=CN=C(C=C5)OC

DOS

IR

Vibrations