Geometry & MOs

Info

ID:	143244
PubChem CID:	53171345
Reduced:	SO3N4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	443.224263
ΔH_f, kcal/mol:	-3.78
Dipole, Da:	2.95
IP(EA), eV:	-9.56(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(S(=O)(=O)N=C1N2CCC(CC2)NC(=O)C3=CC=CC(=C3)C#N)C4=CC=CC=C4

DOS

IR

Vibrations