Geometry & MOs

Info

ID:	153612
PubChem CID:	56312881
Reduced:	FSO2N3C22H26 (1)
Stoich.:	ABC2D3E22F26 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-89.52
Dipole, Da:	4.09
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,4-dimethylcyclohexyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)/C=C/C2=CSC(=N2)N(C3=CC=CC=C3F)C(=O)C

DOS

IR

Vibrations