Geometry & MOs

Info

ID:	150751
PubChem CID:	53790447
Reduced:	NOSC6H10 (2)
Stoich.:	ABCD6E10 (2)
Weight, g/mol:	441.09396
ΔH_f, kcal/mol:	-90.51
Dipole, Da:	4.64
IP(EA), eV:	-8.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]-3-(1H-indol-3-yl)-2-methylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(N(C(=O)N1C)CCCCC2CCSS2)O

DOS

IR

Vibrations