Geometry & MOs

Info

ID:	121292
PubChem CID:	50762079
Reduced:	SO2N6H16C22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	337.091869
ΔH_f, kcal/mol:	69.55
Dipole, Da:	7.06
IP(EA), eV:	-9.06(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-cyclohexyl-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N3C(=N2)SC(=N3)NC4=CC=CC(=C4)C(=O)NCC5=CN=CC=C5

DOS

IR

Vibrations