Geometry & MOs

Info

ID:	239002
PubChem CID:	93165838
Reduced:	SN2O2C19H26 (1)
Stoich.:	AB2C2D19E26 (1)
Weight, g/mol:	410.166414
ΔH_f, kcal/mol:	-56.65
Dipole, Da:	3.61
IP(EA), eV:	-9.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-4-methoxy-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)C(C)C

DOS

IR

Vibrations