Geometry & MOs

Info

ID:	308521
PubChem CID:	125333365
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	451.153206
ΔH_f, kcal/mol:	-46.95
Dipole, Da:	3.07
IP(EA), eV:	-8.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(9R,10R,15R)-10-(4-methylphenyl)-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,7-tetraen-13-yl]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N[C@@H]2CCCC3=C4C=C(C=CC4=N[C@H]23)OC

DOS

IR

Vibrations