Geometry & MOs

Info

ID:	37140
PubChem CID:	8017352
Reduced:	OCl2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	415.07574
ΔH_f, kcal/mol:	8.25
Dipole, Da:	3.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758068
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations