Geometry & MOs

Info

ID:	437658
PubChem CID:	135226765
Reduced:	SO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	422.22458
ΔH_f, kcal/mol:	40.79
Dipole, Da:	9.23
IP(EA), eV:	-8.46(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenoxy]phenyl]benzene

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2NN3C(=N2)C=CC=C3C4=CC=C(C=C4)CN5CCS(=O)CC5

DOS

IR

Vibrations