Geometry & MOs

Info

ID:	266788
PubChem CID:	103579431
Reduced:	INO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	363.99934
ΔH_f, kcal/mol:	-124.38
Dipole, Da:	5.72
IP(EA), eV:	-9.35(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-cyanophenyl)-4-tert-butylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C(=O)C2=CC(=C(C=C2)I)O

DOS

IR

Vibrations