Geometry & MOs

Info

ID:	44319
PubChem CID:	10502714
Reduced:	NO8C21H35 (1)
Stoich.:	AB8C21D35 (1)
Weight, g/mol:	429.102828
ΔH_f, kcal/mol:	-393.26
Dipole, Da:	3.83
IP(EA), eV:	-9.88(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

21-methoxy-19-nitro-9-oxa-6,12-dithia-3,15-diazabicyclo[15.3.1]henicosa-1(20),17(21),18-triene-4,14-dione

Drug info:

PubChemData

Smile

CCOC(=O)N[C@H](/C=C(\C)/CO)[C@]1([C@H]([C@@H]([C@H](OC1=O)C[C@H]2COC(O2)(C)C)C)O)C

DOS

IR

Vibrations