Geometry & MOs

Info

ID:	49569
PubChem CID:	11533279
Reduced:	NO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	491.235497
ΔH_f, kcal/mol:	-83.36
Dipole, Da:	2.51
IP(EA), eV:	-9.51(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-2-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1,3-thiazol-5-yl]-(3-ethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(=O)C(C=N[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)N=CC(C(=O)C)C(=O)C)C(=O)C

DOS

IR

Vibrations