Geometry & MOs

Info

ID:	46656
PubChem CID:	10525995
Reduced:	FeNSO3H15C21 (1)
Stoich.:	ABCD3E15F21 (1)
Weight, g/mol:	417.157623
ΔH_f, kcal/mol:	128.85
Dipole, Da:	9.74
IP(EA), eV:	-8.19(-2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aR,12R)-12-(3,4,5-trimethoxyphenyl)-7a,8,9,12-tetrahydronaphtho[1,2-f]indolizine-7,10-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC(=CS2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations