Geometry & MOs

Info

ID:	1431
PubChem CID:	4414
Reduced:	SN2O5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	413.117118
ΔH_f, kcal/mol:	-130.29
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.225939
Charge, e:	-1

Chem-info

IUPAC name:

6-[(2-ethoxynaphthalen-1-yl)carbamoyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)NC(=O)C3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-]

DOS

IR

Vibrations