Geometry & MOs

Info

ID:

309545

PubChem CID:

126547697

Reduced:

SN2O7C29H38 (1)

Stoich.:

AB2C7D29E38 (1)

Weight, g/mol:

540.185629

ΔHf, kcal/mol:

-296.18

Dipole, Da:

6.64

IP(EA), eV:

 -8.61(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,9-tetrahydroxy-6,7-dioxo-9,10,10a,11,11a,12-hexahydro-8H-tetracen-1-yl]methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1CC3CC4C(C(C(C(=O)C4(C(=O)C3=C2O)O)C(=O)N)O)N(C)C)O)CSC5CCCCC5

DOS

IR

Vibrations