Geometry & MOs

Info

ID:	68357
PubChem CID:	46508248
Reduced:	ClSN3O4H16C18 (1)
Stoich.:	ABC3D4E16F18 (1)
Weight, g/mol:	301.091869
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	4.42
IP(EA), eV:	-9.0(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-propylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CCN2C=NC3=C(C2=O)C=CS3

DOS

IR

Vibrations