Geometry & MOs

Info

ID:	186304
PubChem CID:	77416438
Reduced:	OC9H15 (2)
Stoich.:	AB9C15 (2)
Weight, g/mol:	421.167142
ΔH_f, kcal/mol:	-122.91
Dipole, Da:	1.94
IP(EA), eV:	-8.49(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-amino-5-(1,3-benzodioxol-4-yl)pentyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C(C)C)C12CCC(C1CCC3=C2CCCO3)O

DOS

IR

Vibrations