Geometry & MOs

Info

ID:	334488
PubChem CID:	127253163
Reduced:	N4O4H22C25 (1)
Stoich.:	A4B4C22D25 (1)
Weight, g/mol:	423.128649
ΔH_f, kcal/mol:	-73.2
Dipole, Da:	6.38
IP(EA), eV:	-8.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-11-[5-(dithiolan-3-yl)pentanoyl]-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)NC(=O)CCCN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations