Geometry & MOs

Info

ID:	427603
PubChem CID:	135160444
Reduced:	ClFS2N4O4C21H22 (1)
Stoich.:	ABC2D4E4F21G22 (1)
Weight, g/mol:	428.322521
ΔH_f, kcal/mol:	-120.11
Dipole, Da:	7.71
IP(EA), eV:	-9.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-cyclohexyl-2-methylthiophen-3-yl)-2-[(E)-hex-2-en-2-yl]iminoethyl]-N-methylcycloheptanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=CC(=C(C=C2Cl)S(=O)NC3=NC=NS3)F)CCCNCCC(=O)O

DOS

IR

Vibrations