Geometry & MOs

Info

ID:	178357
PubChem CID:	76315096
Reduced:	ClS2N5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	415.03283
ΔH_f, kcal/mol:	122.8
Dipole, Da:	5.78
IP(EA), eV:	-7.81(-1.33)
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-methoxyphenyl)-1,3,4-thiadiazole-2,5-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NN=C(S2)NC3=NC(=CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations