Geometry & MOs

Info

ID:	178788
PubChem CID:	76382309
Reduced:	SN2O6C15H24 (1)
Stoich.:	AB2C6D15E24 (1)
Weight, g/mol:	461.015843
ΔH_f, kcal/mol:	-228.31
Dipole, Da:	5.57
IP(EA), eV:	-8.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxyethyl 3-[4-(4-chlorobenzenecarbothioyl)phenoxy]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1(CO)C(=O)N3CCC(CC3)O)CC2=O)C(=O)O)C

DOS

IR

Vibrations