Geometry & MOs

Info

ID:	143814
PubChem CID:	53266818
Reduced:	INO2C20H24 (1)
Stoich.:	ABC2D20E24 (1)
Weight, g/mol:	444.187149
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	6.04
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C)C(=O)NC2=C(C=C(C=C2)I)C)C(C)C

DOS

IR

Vibrations