Geometry & MOs

Info

ID:	239004
PubChem CID:	93165843
Reduced:	SN2O2C20H28 (1)
Stoich.:	AB2C2D20E28 (1)
Weight, g/mol:	394.171499
ΔH_f, kcal/mol:	-61.12
Dipole, Da:	3.89
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations