Geometry & MOs

Info

ID:	364086
PubChem CID:	127313875
Reduced:	S2O3N4C15H24 (1)
Stoich.:	A2B3C4D15E24 (1)
Weight, g/mol:	262.171499
ΔH_f, kcal/mol:	-103.44
Dipole, Da:	2.35
IP(EA), eV:	-8.75(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbutyl)-4-methylsulfonyl-1,4-diazepane

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCN(CC1)CC(=O)NC2=NC3=C(S2)CCCC3

DOS

IR

Vibrations