Geometry & MOs

Info

ID:	348704
PubChem CID:	127273815
Reduced:	SO2N4C15H26 (1)
Stoich.:	AB2C4D15E26 (1)
Weight, g/mol:	354.208947
ΔH_f, kcal/mol:	-70.66
Dipole, Da:	10.9
IP(EA), eV:	-8.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexylmethyl)-4-(1,2-dimethylimidazol-4-yl)sulfonyl-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)N2CCC(CC2)N3CCCCC3

DOS

IR

Vibrations