Geometry & MOs

Info

ID:	178356
PubChem CID:	76315095
Reduced:	FN3O4H20C23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	399.037915
ΔH_f, kcal/mol:	-84.85
Dipole, Da:	2.92
IP(EA), eV:	-8.59(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-diamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=C\2/C=C(C=CC2=O)O)/NNC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations