Geometry & MOs

Info

ID:	17654
PubChem CID:	509784
Reduced:	OSN6C23H32 (1)
Stoich.:	ABC6D23E32 (1)
Weight, g/mol:	440.235831
ΔH_f, kcal/mol:	5.82
Dipole, Da:	9.09
IP(EA), eV:	-8.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)NC2=NN=C(S2)NCCC3=CN=CN3)C(C)C

DOS

IR

Vibrations