Geometry & MOs

Info

ID:	128024
PubChem CID:	51027220
Reduced:	N2O5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	285.100108
ΔH_f, kcal/mol:	-158.01
Dipole, Da:	6.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761307
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)[O-]

DOS

IR

Vibrations