Geometry & MOs

Info

ID:	180875
PubChem CID:	76698669
Reduced:	SCl2O3N7C23H27 (1)
Stoich.:	AB2C3D7E23F27 (1)
Weight, g/mol:	282.16198
ΔH_f, kcal/mol:	-79.76
Dipole, Da:	7.11
IP(EA), eV:	-8.37(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]phenol

Drug info:

PubChemData

Smile

CC(=O)NC(CSC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl)C(=O)N=C(N)N=C(N)N(C)C

DOS

IR

Vibrations