Geometry & MOs

Info

ID:	1432
PubChem CID:	4415
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-160.01
Dipole, Da:	1.29
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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