Geometry & MOs

Info

ID:	238989
PubChem CID:	93165822
Reduced:	NOSC11H13 (2)
Stoich.:	ABCD11E13 (2)
Weight, g/mol:	438.197714
ΔH_f, kcal/mol:	-22.42
Dipole, Da:	4.4
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2C)C)C(=O)C3=CC=CS3

DOS

IR

Vibrations