Geometry & MOs

Info

ID:	299791
PubChem CID:	117695577
Reduced:	OC2P3F4N4H7 (1)
Stoich.:	AB2C3D4E4F7 (1)
Weight, g/mol:	646.134
ΔH_f, kcal/mol:	-298.42
Dipole, Da:	3.22
IP(EA), eV:	-9.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[4-[[2-[2-(fluoromethyl)-4-methoxyphenyl]acetyl]amino]benzoyl]-[(4-iodophenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

C(C(F)(F)F)OP(=NP=N)(N=PN)F

DOS

IR

Vibrations