Geometry & MOs

Info

ID:	139695
PubChem CID:	52581177
Reduced:	FN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	475.247107
ΔH_f, kcal/mol:	-137.97
Dipole, Da:	3.09
IP(EA), eV:	-9.46(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(cyclopropanecarbonyl)-N-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F)C(C)C

DOS

IR

Vibrations