Geometry & MOs

Info

ID:	448572
PubChem CID:	135291968
Reduced:	ClNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	-146.22
Dipole, Da:	2.49
IP(EA), eV:	-9.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-but-2-en-2-yl]-3-tert-butyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

C[C@@](CC1=CC=CC=C1)(C(=O)CCl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations