Geometry & MOs

Info

ID:	266789
PubChem CID:	103579436
Reduced:	BrOSN4H13C14 (1)
Stoich.:	ABCD4E13F14 (1)
Weight, g/mol:	420.95126
ΔH_f, kcal/mol:	51.14
Dipole, Da:	2.7
IP(EA), eV:	-9.69(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(2-chloro-4-iodophenyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(SN=N1)C(=O)NC2=C(C=C(C=C2)C#N)Br

DOS

IR

Vibrations