Geometry & MOs

Info

ID:	433868
PubChem CID:	135174011
Reduced:	NSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	361.075072
ΔH_f, kcal/mol:	-99.24
Dipole, Da:	8.81
IP(EA), eV:	-9.12(-0.33)
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-2,2-dioxo-2lambda6-thia-6-azabicyclo[3.2.0]heptane-3,7-dione

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC)C(=O)S(=O)(=O)C=C

DOS

IR

Vibrations