Geometry & MOs

Info

ID:	1503
PubChem CID:	4607
Reduced:	SN3O5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	400.096717
ΔH_f, kcal/mol:	-100.42
Dipole, Da:	2.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759454
Charge, e:	-1

Chem-info

IUPAC name:

3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-]

DOS

IR

Vibrations