Geometry & MOs

Info

ID:	418444
PubChem CID:	135104801
Reduced:	ClN2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-130.6
Dipole, Da:	4.38
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-1,3-thiazol-4-yl)-1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations