Geometry & MOs

Info

ID:

189298

PubChem CID:

77839482

Reduced:

ClSN5O10C34H60 (1)

Stoich.:

ABC5D10E34F60 (1)

Weight, g/mol:

626.211175

ΔHf, kcal/mol:

-554.64

Dipole, Da:

13.96

IP(EA), eV:

 -8.53(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-3,4-dihydroxybutanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C(=O)NCC(=O)N(CCCCCC(=O)OC)C(CC2CCCCC2)C(=O)NC(=O)C(CCS(=O)C)N)N)C)O.O.O.Cl

DOS

IR

Vibrations