Geometry & MOs

Info

ID:	431616
PubChem CID:	135171704
Reduced:	NOC11H23 (1)
Stoich.:	ABC11D23 (1)
Weight, g/mol:	839.480869
ΔH_f, kcal/mol:	-72.69
Dipole, Da:	3.08
IP(EA), eV:	-8.47(2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[[2-methyl-4-[3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[6-(trifluoromethyl)pyridin-3-yl]amino]phenyl]butanoyloxy]butyl]-(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCN(CC(C)C)C1CCOCC1

DOS

IR

Vibrations