Geometry & MOs

Info

ID:	435067
PubChem CID:	135179523
Reduced:	SN2O3C23H44 (1)
Stoich.:	AB2C3D23E44 (1)
Weight, g/mol:	581.277738
ΔH_f, kcal/mol:	-118.64
Dipole, Da:	4.04
IP(EA), eV:	-8.31(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-[4-[(3-methyl-2-oxobutoxy)methyl]phenoxy]phenyl]-1-[2-(6-phenylpyridin-3-yl)oxyethoxy]butan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)NCSCC1CCCN(C1)CCOCCOCC#CCOC(C)(C)C

DOS

IR

Vibrations