Geometry & MOs

Info

ID:	143245
PubChem CID:	53171487
Reduced:	SN3O3C24H33 (1)
Stoich.:	AB3C3D24E33 (1)
Weight, g/mol:	449.063462
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	7.61
IP(EA), eV:	-9.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chlorothiophen-2-yl)-[4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(S(=O)(=O)N=C1N2CCCN(CC2)C(=O)CCC3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations