Geometry & MOs

Info

ID:	243190
PubChem CID:	99216720
Reduced:	BrO3N6C18H19 (1)
Stoich.:	AB3C6D18E19 (1)
Weight, g/mol:	430.00991
ΔH_f, kcal/mol:	-45.13
Dipole, Da:	7.31
IP(EA), eV:	-8.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2S)-1-oxo-1-[4-(thiadiazol-4-yl)anilino]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC2=NN(C(=O)N2C=C1)CCNC(=O)CCNC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations