Geometry & MOs

Info

ID:	1276
PubChem CID:	4083
Reduced:	SN3O4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	360.101802
ΔH_f, kcal/mol:	-88.15
Dipole, Da:	4.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758703
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N=C)C(=O)[O-])C

DOS

IR

Vibrations