Geometry & MOs

Info

ID:	165455
PubChem CID:	74552235
Reduced:	SN6O6C18H22 (1)
Stoich.:	AB6C6D18E22 (1)
Weight, g/mol:	426.130125
ΔH_f, kcal/mol:	-67.58
Dipole, Da:	9.51
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,9,17-trien-14-yl)acetate

Drug info:

PubChemData

Smile

CC1=C2CCC(=NC(=S)NNC(=O)C(C)N3C=C(C(=N3)OC)[N+](=O)[O-])CC2OC(=C1)O

DOS

IR

Vibrations