Geometry & MOs

Info

ID:	11765
PubChem CID:	120650
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	5.54
IP(EA), eV:	-9.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-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)C3=CC=CC=C3C4=CC=CC=C4)C(=O)O)C

DOS

IR

Vibrations