Geometry & MOs

Info

ID:	180314
PubChem CID:	76614176
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	-113.52
Dipole, Da:	4.74
IP(EA), eV:	-9.23(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-3-(2-aminoethylsulfanyl)-6-(1-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one

Drug info:

PubChemData

Smile

CC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)C

DOS

IR

Vibrations