Geometry & MOs

Info

ID:	146707
PubChem CID:	53732640
Reduced:	SN3O5C29H35 (1)
Stoich.:	AB3C5D29E35 (1)
Weight, g/mol:	381.230394
ΔH_f, kcal/mol:	-144.98
Dipole, Da:	10.14
IP(EA), eV:	-8.3(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminophenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)N[C@@H]3CCN(C[C@@H]3C4=CC(=C(C=C4)OC)OC)C)C

DOS

IR

Vibrations