Geometry & MOs

Info

ID:	239038
PubChem CID:	93165901
Reduced:	N2O2S2C21H24 (1)
Stoich.:	A2B2C2D21E24 (1)
Weight, g/mol:	424.182064
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	4.77
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations