Geometry & MOs

Info

ID:	62197
PubChem CID:	26717999
Reduced:	FO2S2N3H14C17 (1)
Stoich.:	AB2C2D3E14F17 (1)
Weight, g/mol:	399.107519
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	6.46
IP(EA), eV:	-8.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CS3)F

DOS

IR

Vibrations