Geometry & MOs

Info

ID:	158761
PubChem CID:	56468339
Reduced:	O2F4N9H13C18 (1)
Stoich.:	A2B4C9D13E18 (1)
Weight, g/mol:	440.197217
ΔH_f, kcal/mol:	-72.44
Dipole, Da:	9.08
IP(EA), eV:	-9.55(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-ethyl-4-[(E)-3-[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]-3-oxoprop-1-enyl]-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=C(N(N=C3)C4=NN=C(C=C4)OC)C(F)(F)F)F

DOS

IR

Vibrations