Geometry & MOs

Info

ID:	61324
PubChem CID:	26708194
Reduced:	N2O2F3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	358.095141
ΔH_f, kcal/mol:	-224.82
Dipole, Da:	5.49
IP(EA), eV:	-9.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)N[C@@H](C)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations