Geometry & MOs

Info

ID:	317308
PubChem CID:	126635500
Reduced:	OS2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	380.041998
ΔH_f, kcal/mol:	50.03
Dipole, Da:	3.19
IP(EA), eV:	-8.76(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-thiazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN=CC=C2)N(C)C(=O)CN3C(=C(C(=N3)C)S)C

DOS

IR

Vibrations