Geometry & MOs

Info

ID:	9740
PubChem CID:	92901
Reduced:	SN2O5C17H20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	364.109293
ΔH_f, kcal/mol:	-175.69
Dipole, Da:	5.34
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(3-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCOC3=CC=CC=C3)C(=O)O)C

DOS

IR

Vibrations