Geometry & MOs

Info

ID:	200
PubChem CID:	2282
Reduced:	SN3O7C21H27 (1)
Stoich.:	AB3C7D21E27 (1)
Weight, g/mol:	465.156971
ΔH_f, kcal/mol:	-268.97
Dipole, Da:	4.49
IP(EA), eV:	-9.43(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxycarbonyloxyethyl 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2NC(=O)C(C3=CC=CC=C3)N)(C)C

DOS

IR

Vibrations