Geometry & MOs

Info

ID:	156343
PubChem CID:	56370203
Reduced:	S2N3O3C26H33 (1)
Stoich.:	A2B3C3D26E33 (1)
Weight, g/mol:	466.183875
ΔH_f, kcal/mol:	-98.7
Dipole, Da:	3.53
IP(EA), eV:	-8.24(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-4-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)COC3=CC=C(C=C3)C4SCCCS4

DOS

IR

Vibrations