Geometry & MOs

Info

ID:	317662
PubChem CID:	126644887
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	422.10089
ΔH_f, kcal/mol:	-17.76
Dipole, Da:	4.35
IP(EA), eV:	-8.68(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-chloro-5-[3-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations