Geometry & MOs

Info

ID:	327604
PubChem CID:	126690489
Reduced:	BrF3N4O6C33H34 (1)
Stoich.:	AB3C4D6E33F34 (1)
Weight, g/mol:	624.247166
ΔH_f, kcal/mol:	-323.65
Dipole, Da:	11.68
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-butoxybenzoyl)oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1CC(=C(C=C1O)C(F)(F)F)CC(=O)NC2=CCC(C=C2)C(=O)N(CC3=CC4C(C=C3)NC(C(=O)N4)C5=CCC(C=C5)Br)CC(=O)O

DOS

IR

Vibrations