Geometry & MOs

Info

ID:	128714
PubChem CID:	51055042
Reduced:	F3N4O5H17C18 (1)
Stoich.:	A3B4C5D17E18 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-348.73
Dipole, Da:	4.88
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

COCCN1C2=C(C(CC(=O)N2)C(=O)NC3=CC=CC=C3C(F)(F)F)C(=O)NC1=O

DOS

IR

Vibrations