Geometry & MOs

Info

ID:	141354
PubChem CID:	52865389
Reduced:	Cl2N3O3H17C20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	419.081888
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	4.12
IP(EA), eV:	-9.26(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)Cl)O)C3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations