Geometry & MOs

Info

ID:	427879
PubChem CID:	135164883
Reduced:	BrClO2N3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	466.215095
ΔH_f, kcal/mol:	-41.83
Dipole, Da:	5.01
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[2-[2-(1H-imidazol-5-yl)ethoxy]-4-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC(=CC(=C2)OCCC(=O)N)/C=C/C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations