Geometry & MOs

Info

ID:	390827
PubChem CID:	135001143
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	258.086764
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	5.12
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[4-(trifluoromethyl)phenyl]oxepan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=C2C=C(N=C3)CN(C)C

DOS

IR

Vibrations