Geometry & MOs

Info

ID:	422149
PubChem CID:	135117295
Reduced:	NO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	284.101706
ΔH_f, kcal/mol:	-160.46
Dipole, Da:	7.46
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethylsulfanyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations