Geometry & MOs

Info

ID:	330738
PubChem CID:	127248145
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	428.13184
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	4.11
IP(EA), eV:	-9.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)CC(=O)NC2=NC=CS2)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations