Geometry & MOs

Info

ID:	1504
PubChem CID:	4608
Reduced:	SN3O5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	401.104542
ΔH_f, kcal/mol:	-118.32
Dipole, Da:	3.97
IP(EA), eV:	-9.63(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

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-carboxylic acid

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