Geometry & MOs

Info

ID:	43124
PubChem CID:	10318855
Reduced:	OF3N3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	401.100954
ΔH_f, kcal/mol:	-143.67
Dipole, Da:	7.09
IP(EA), eV:	-8.63(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=C(C=CC(=C2)NC3=CC(=NC4=CC=CC=C43)C(F)(F)F)O

DOS

IR

Vibrations