Geometry & MOs

Info

ID:	239040
PubChem CID:	93165905
Reduced:	SN2O2C21H30 (1)
Stoich.:	AB2C2D21E30 (1)
Weight, g/mol:	374.202799
ΔH_f, kcal/mol:	-70.89
Dipole, Da:	3.4
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2C)C(=O)CC(C)C

DOS

IR

Vibrations