Geometry & MOs

Info

ID:	137
PubChem CID:	2171
Reduced:	SN3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	365.104542
ΔH_f, kcal/mol:	-173.72
Dipole, Da:	6.58
IP(EA), eV:	-9.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C

DOS

IR

Vibrations