Geometry & MOs

Info

ID:	148879
PubChem CID:	53788549
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	187.030314
ΔH_f, kcal/mol:	-94.41
Dipole, Da:	5.61
IP(EA), eV:	-8.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,5S)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(CCCNC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)S(=O)C)O

DOS

IR

Vibrations