Geometry & MOs

Info

ID:	17640
PubChem CID:	509446
Reduced:	BrOSN4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	430.0463
ΔH_f, kcal/mol:	58.43
Dipole, Da:	6.52
IP(EA), eV:	-8.93(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations