Geometry & MOs

Info

ID:	366746
PubChem CID:	127320275
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	235.124215
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	3.18
IP(EA), eV:	-8.82(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxypropan-2-ylsulfonyl)azepane

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NCC3=CN=C(N3C)N(C)C)C

DOS

IR

Vibrations