Geometry & MOs

Info

ID:	327593
PubChem CID:	126690442
Reduced:	BrNC6H10 (1)
Stoich.:	ABC6D10 (1)
Weight, g/mol:	646.203919
ΔH_f, kcal/mol:	17.79
Dipole, Da:	4.01
IP(EA), eV:	-9.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC=N/C=C\C(C)Br

DOS

IR

Vibrations