Geometry & MOs

Info

ID:	37862
PubChem CID:	8025171
Reduced:	NF2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	334.204513
ΔH_f, kcal/mol:	-190.82
Dipole, Da:	2.18
IP(EA), eV:	-8.7(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-butan-2-yl]amino]-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations