Geometry & MOs

Info

ID:	154547
PubChem CID:	56314009
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	416.228677
ΔH_f, kcal/mol:	-116.62
Dipole, Da:	8.25
IP(EA), eV:	-8.46(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butyl-1,4-diazepan-1-yl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=C(C=C1)NC(=O)C(C)C2=C(ON=C2C)C

DOS

IR

Vibrations