Geometry & MOs

Info

ID:

310134

PubChem CID:

126575053

Reduced:

INC29H38 (1)

Stoich.:

ABC29D38 (1)

Weight, g/mol:

616.238058

ΔHf, kcal/mol:

67.22

Dipole, Da:

1.99

IP(EA), eV:

 -8.81(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[[(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carbonyl]amino]methyl]piperidin-2-yl]methyl nitrate

Drug info:

PubChemData

Smile

CCC/C=C(\C=C)/C(C1=CC=CC=C1)N(CCCCCC=CC2=CC=CC=C2)CCI

DOS

IR

Vibrations