Geometry & MOs

Info

ID:	234936
PubChem CID:	92303746
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	388.176248
ΔH_f, kcal/mol:	-46.35
Dipole, Da:	5.13
IP(EA), eV:	-8.21(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H](CC(=O)NCC2=CC=CC=C2)C3=CNC4=CC=CC=C43)OC

DOS

IR

Vibrations