Geometry & MOs

Info

ID:

320888

PubChem CID:

126664120

Reduced:

FNH20C24 (1)

Stoich.:

ABC20D24 (1)

Weight, g/mol:

580.214484

ΔHf, kcal/mol:

32.28

Dipole, Da:

1.26

IP(EA), eV:

 -7.78(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aS,5aR,12aR)-1-amino-4-(dimethylamino)-10,11,12a-trihydroxy-8-(morpholin-4-ylmethyl)-3,12-dioxo-7-(trifluoromethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C(C2)CC4=CC=CC=C43)CC5=CC=CC=C5F

DOS

IR

Vibrations