Geometry & MOs

Info

ID:	334789
PubChem CID:	127253464
Reduced:	N2O5H16C25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-96.89
Dipole, Da:	3.83
IP(EA), eV:	-8.93(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-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)C5=CC=C(C=C5)C(=O)NCC(=O)O

DOS

IR

Vibrations