Geometry & MOs

Info

ID:

184418

PubChem CID:

77159260

Reduced:

ON4C30H32 (1)

Stoich.:

AB4C30D32 (1)

Weight, g/mol:

643.22649

ΔHf, kcal/mol:

80.75

Dipole, Da:

4.61

IP(EA), eV:

 -7.74(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=C2C=C3C(=C4C(=O)CC(=C5CC(C(N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)C4=N3)C

DOS

IR

Vibrations