Geometry & MOs

Info

ID:	226665
PubChem CID:	87550990
Reduced:	FSN4O5H23C24 (1)
Stoich.:	ABC4D5E23F24 (1)
Weight, g/mol:	336.08116
ΔH_f, kcal/mol:	-163.21
Dipole, Da:	8.45
IP(EA), eV:	-8.82(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-aminoethyl)-5-(3-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCO5)F)C(=O)C(=CN2)C(=O)O

DOS

IR

Vibrations