Geometry & MOs

Info

ID:	12154
PubChem CID:	131497
Reduced:	N5O5C22H25 (1)
Stoich.:	A5B5C22D25 (1)
Weight, g/mol:	439.185569
ΔH_f, kcal/mol:	-160.03
Dipole, Da:	9.45
IP(EA), eV:	-9.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,11S,14S)-11-benzyl-3,9,12-trioxo-1,4,10,13,17-pentazatricyclo[14.2.1.04,8]nonadeca-16(19),17-diene-14-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC3=CN(CC(=O)N2C1)C=N3)C(=O)O)CC4=CC=CC=C4

DOS

IR

Vibrations