Geometry & MOs

Info

ID:

185864

PubChem CID:

77361362

Reduced:

ClSN2O4C17H19 (1)

Stoich.:

ABC2D4E17F19 (1)

Weight, g/mol:

559.25298

ΔHf, kcal/mol:

-90.22

Dipole, Da:

2.95

IP(EA), eV:

 -8.88(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-methoxy-3,12-dioxo-8-[(2-propan-2-yloxyethylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C(ON=C2C)C=NS(=O)C(C)(C)C)C(=O)O)Cl

DOS

IR

Vibrations