Geometry & MOs

Info

ID:	435633
PubChem CID:	135192001
Reduced:	NF2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	451.174336
ΔH_f, kcal/mol:	-154.58
Dipole, Da:	5.72
IP(EA), eV:	-9.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R)-2-[(5-benzyl-1,2-oxazole-3-carbonyl)amino]propoxy]-3-[formyl(methyl)amino]benzoate

Drug info:

PubChemData

Smile

CCC(=C(/C=C(/C(C1=CC=CC=C1)(F)F)\OC)C(=O)N)C

DOS

IR

Vibrations