Geometry & MOs

Info

ID:	402225
PubChem CID:	135055038
Reduced:	ClNO2F3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	335.152144
ΔH_f, kcal/mol:	-185.8
Dipole, Da:	4.61
IP(EA), eV:	-8.9(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(1-methylindol-3-yl)-2-oxo-4-phenylbutanoate

Drug info:

PubChemData

Smile

CCO[C@H]1C[C@@H](N(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations