Geometry & MOs

Info

ID:	50913
PubChem CID:	12013506
Reduced:	OH14C17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	405.125946
ΔH_f, kcal/mol:	36.89
Dipole, Da:	3.41
IP(EA), eV:	-9.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-methylphenyl)-5-[(5-phenyl-1H-pyrazol-3-yl)imino]-1,3,4-thiadiazole-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@H]2C(=O)C3=CC=CC=C3)C4=CC=CC=C41

DOS

IR

Vibrations