Geometry & MOs

Info

ID:

178707

PubChem CID:

76371581

Reduced:

FN4O12C40H47 (1)

Stoich.:

AB4C12D40E47 (1)

Weight, g/mol:

794.317451

ΔHf, kcal/mol:

-338.0

Dipole, Da:

7.76

IP(EA), eV:

 -8.48(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,4-dinitrooxybutoxy)propyl 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)OCCCCOCC(CO[N+](=O)[O-])O[N+](=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations