Geometry & MOs

Info

ID:	196676
PubChem CID:	78863008
Reduced:	SN2O4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	407.182062
ΔH_f, kcal/mol:	-183.2
Dipole, Da:	7.81
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-oxo-3-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]propyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCCCC2

DOS

IR

Vibrations