Geometry & MOs

Info

ID:	242806
PubChem CID:	99206418
Reduced:	OS2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	460.160283
ΔH_f, kcal/mol:	-8.22
Dipole, Da:	7.56
IP(EA), eV:	-8.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-N-[(1S)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=CC(=CC=C2)NC(=O)CCCC[C@@H]3CCSS3

DOS

IR

Vibrations