Geometry & MOs

Info

ID:	140429
PubChem CID:	52695832
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	420.046604
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	4.51
IP(EA), eV:	-8.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-methoxypropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)[C@H](C)OC

DOS

IR

Vibrations