Geometry & MOs

Info

ID:	347197
PubChem CID:	127271738
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	276.150764
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	1.88
IP(EA), eV:	-9.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3CCS(=O)(=O)C4=CC=CC=C34

DOS

IR

Vibrations