Geometry & MOs

Info

ID:

189299

PubChem CID:

77839483

Reduced:

N2O12C31H34 (1)

Stoich.:

A2B12C31D34 (1)

Weight, g/mol:

654.242475

ΔHf, kcal/mol:

-437.11

Dipole, Da:

4.13

IP(EA), eV:

 -8.99(-1.9)

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-dimethoxybutanenitrile

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(C#N)C(CO)O)O

DOS

IR

Vibrations