Geometry & MOs

Info

ID:	335424
PubChem CID:	127254286
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-34.63
Dipole, Da:	5.43
IP(EA), eV:	-9.33(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-7-amino-18-oxo-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]2C3CC(CN2C4=C1C=C(C=C4)[N+](=O)[O-])C5=CC=CC(=O)N5C3)C(=O)O

DOS

IR

Vibrations