Geometry & MOs

Info

ID:	234974
PubChem CID:	92303811
Reduced:	NF2O3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	402.090183
ΔH_f, kcal/mol:	-165.21
Dipole, Da:	4.51
IP(EA), eV:	-9.29(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2CC(=O)N(C(=C2C(=O)OCC=C)C)CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations