Geometry & MOs

Info

ID:	218567
PubChem CID:	85089628
Reduced:	OSSiC31H32 (1)
Stoich.:	ABCD31E32 (1)
Weight, g/mol:	481.148515
ΔH_f, kcal/mol:	33.5
Dipole, Da:	2.74
IP(EA), eV:	-8.49(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-amino-3-oxoprop-1-ynyl)-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1CSC1(C2=CC=CC=C2)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations