Geometry & MOs

Info

ID:

215063

PubChem CID:

85084078

Reduced:

N3O4F6H31C36 (1)

Stoich.:

A3B4C6D31E36 (1)

Weight, g/mol:

683.324037

ΔHf, kcal/mol:

-408.42

Dipole, Da:

3.66

IP(EA), eV:

 -8.9(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15,28-dihydroxy-5-methoxy-14,16-dimethyl-3,24-dioxo-22-thia-2,25-diazatricyclo[18.7.1.021,26]octacosa-1(27),6,8,10,16,20(28),21(26)-heptaen-13-yl) 2-(3-methylbutanoylamino)propanoate

Drug info:

PubChemData

Smile

CC1C(=O)N(CC2N1C(=O)C(CN2C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC4=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6

DOS

IR

Vibrations