Geometry & MOs

Info

ID:

164617

PubChem CID:

74426768

Reduced:

PN2O17C58H111 (1)

Stoich.:

AB2C17D58E111 (1)

Weight, g/mol:

388.107064

ΔHf, kcal/mol:

-1031.56

Dipole, Da:

7.34

IP(EA), eV:

 -10.44(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-(2-fluorophenyl)-5-[hydroxy-(2-nitrophenyl)methyl]-4H-1,2-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OCCCCCC)COC2C(C(C(C(O2)CO)OP(=O)(O)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)O)O

DOS

IR

Vibrations