Geometry & MOs

Info

ID:	141659
PubChem CID:	52909705
Reduced:	N3O3H26C30 (1)
Stoich.:	A3B3C26D30 (1)
Weight, g/mol:	494.198777
ΔH_f, kcal/mol:	25.49
Dipole, Da:	5.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.821140
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2CC(=NN2C(=O)CCC(=O)[O-])C3=C(C4=CC=CC=C4N=C3C)C5=CC=CC=C5

DOS

IR

Vibrations