Geometry & MOs

Info

ID:

304846

PubChem CID:

124766233

Reduced:

FO3N5C26H28 (1)

Stoich.:

AB3C5D26E28 (1)

Weight, g/mol:

477.217618

ΔHf, kcal/mol:

-15.43

Dipole, Da:

4.96

IP(EA), eV:

 -9.1(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=NN=N2)[C@@H](C3=CC(=CC=C3)F)N(C[C@H]4CCCO4)CC5=CC=CO5

DOS

IR

Vibrations