Geometry & MOs

Info

ID:

178705

PubChem CID:

76371579

Reduced:

O6N8C19H32 (2)

Stoich.:

A6B8C19D32 (2)

Weight, g/mol:

780.301801

ΔHf, kcal/mol:

-524.25

Dipole, Da:

4.88

IP(EA), eV:

 -9.17(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N)O

DOS

IR

Vibrations