Geometry & MOs

Info

ID:	214222
PubChem CID:	84974690
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	416.188212
ΔH_f, kcal/mol:	-138.02
Dipole, Da:	3.16
IP(EA), eV:	-8.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CC3C(=O)NC(=O)S3

DOS

IR

Vibrations