Geometry & MOs

Info

ID:	329061
PubChem CID:	126730925
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	400.26136
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	3.91
IP(EA), eV:	-8.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CCCCCNS(=O)(=O)CC)C3=CC=CC=C3N=C2N

DOS

IR

Vibrations