Geometry & MOs

Info

ID:	366782
PubChem CID:	127320319
Reduced:	SN3O4C15H27 (1)
Stoich.:	AB3C4D15E27 (1)
Weight, g/mol:	260.119464
ΔH_f, kcal/mol:	-177.73
Dipole, Da:	2.9
IP(EA), eV:	-8.99(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropylmethylsulfonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3CCOC3

DOS

IR

Vibrations