Geometry & MOs

Info

ID:	250843
PubChem CID:	103099447
Reduced:	INO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	294.026348
ΔH_f, kcal/mol:	-108.68
Dipole, Da:	4.54
IP(EA), eV:	-9.19(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,4-diazepane

Drug info:

PubChemData

Smile

COC1CCC(C1)NC(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations