Geometry & MOs

Info

ID:	309369
PubChem CID:	126545720
Reduced:	ClC17H33 (1)
Stoich.:	AB17C33 (1)
Weight, g/mol:	467.16925
ΔH_f, kcal/mol:	-85.69
Dipole, Da:	2.4
IP(EA), eV:	-10.56(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aS,5aR,7Z,12aR)-7-(3-aminoprop-2-enylidene)-4-(dimethylamino)-1,11,12a-trihydroxy-3,10,12-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(C)C(CCCCCl)C1CCCC1

DOS

IR

Vibrations