Geometry & MOs

Info

ID:	38349
PubChem CID:	8031779
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	404.096629
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	2.99
IP(EA), eV:	-8.88(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2R,4S)-3-(2,4-dichlorobenzoyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)CN(CC1=NC=CN1)C(=O)[C@H]2COC3=CC=CC=C3O2

DOS

IR

Vibrations