Geometry & MOs

Info

ID:	239008
PubChem CID:	93165852
Reduced:	ClSN2O2C22H23 (1)
Stoich.:	ABC2D2E22F23 (1)
Weight, g/mol:	394.171499
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	3.94
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations