Geometry & MOs

Info

ID:	54363
PubChem CID:	17132714
Reduced:	ClFSN5C20H27 (1)
Stoich.:	ABCD5E20F27 (1)
Weight, g/mol:	384.107854
ΔH_f, kcal/mol:	-2.1
Dipole, Da:	7.67
IP(EA), eV:	-8.5(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imino-N'-(4-methoxyphenyl)-5-methyl-N-(3-methylsulfanylphenyl)-1,2-thiazole-2-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC(=N)N(S1)C(=NC2CC(NC(C2)(C)C)(C)C)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations