Geometry & MOs

Info

ID:	148259
PubChem CID:	53787921
Reduced:	Cl2O3N4C13H18 (1)
Stoich.:	A2B3C4D13E18 (1)
Weight, g/mol:	425.105685
ΔH_f, kcal/mol:	-101.59
Dipole, Da:	3.56
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN=C(N)NC(=O)N(C)C1=C(C=C(C(=C1Cl)OC)O)Cl

DOS

IR

Vibrations