Geometry & MOs

Info

ID:	189194
PubChem CID:	77825746
Reduced:	N4O5C17H22 (1)
Stoich.:	A4B5C17D22 (1)
Weight, g/mol:	534.266462
ΔH_f, kcal/mol:	-189.57
Dipole, Da:	5.74
IP(EA), eV:	-9.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-3-hydroxy-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)CCNC(=O)C(C(C(=O)N2CC3=CC=CC=C3C2)O)O

DOS

IR

Vibrations