Geometry & MOs

Info

ID:	33242
PubChem CID:	7885608
Reduced:	N2O5C22H32 (1)
Stoich.:	A2B5C22D32 (1)
Weight, g/mol:	405.138779
ΔH_f, kcal/mol:	-227.09
Dipole, Da:	1.88
IP(EA), eV:	-9.17(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-difluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C

DOS

IR

Vibrations