Geometry & MOs

Info

ID:	239030
PubChem CID:	93165889
Reduced:	SN2O2C24H28 (1)
Stoich.:	AB2C2D24E28 (1)
Weight, g/mol:	424.182064
ΔH_f, kcal/mol:	-29.47
Dipole, Da:	4.31
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3C

DOS

IR

Vibrations