Geometry & MOs

Info

ID:	335053
PubChem CID:	127253859
Reduced:	NO4H17C24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-70.19
Dipole, Da:	3.28
IP(EA), eV:	-8.85(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[4-(1H-indol-3-yl)butanoyl]-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC(C5=CC(=CC=C5)O)O

DOS

IR

Vibrations