Geometry & MOs

Info

ID:	266790
PubChem CID:	103579438
Reduced:	ClIOSN3C13H13 (1)
Stoich.:	ABCDE3F13G13 (1)
Weight, g/mol:	353.01975
ΔH_f, kcal/mol:	28.18
Dipole, Da:	1.63
IP(EA), eV:	-9.27(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-4-tert-butylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(SN=N1)C(=O)NC2=C(C=C(C=C2)I)Cl

DOS

IR

Vibrations