Geometry & MOs

Info

ID:	243189
PubChem CID:	99216718
Reduced:	FSO2N5H18C21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	446.0702
ΔH_f, kcal/mol:	-5.81
Dipole, Da:	5.9
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)carbamoylamino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1=CC2=NN(C(=O)N2C=C1)CCNC(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)F

DOS

IR

Vibrations