Geometry & MOs

Info

ID:	128310
PubChem CID:	51038671
Reduced:	N2Br4O4C21H22 (1)
Stoich.:	A2B4C4D21E22 (1)
Weight, g/mol:	495.103497
ΔH_f, kcal/mol:	-124.09
Dipole, Da:	4.48
IP(EA), eV:	-8.81(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[1-(pyridin-3-ylsulfonylamino)-2-[4-(1,3-thiazol-2-yl)phenyl]ethyl]pyridin-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCOC1=NC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2Br)Br)Br)Br)C(=O)O

DOS

IR

Vibrations