Geometry & MOs

Info

ID:	47228
PubChem CID:	10530764
Reduced:	NO5C33H63 (1)
Stoich.:	AB5C33D63 (1)
Weight, g/mol:	553.223116
ΔH_f, kcal/mol:	-365.91
Dipole, Da:	3.59
IP(EA), eV:	-10.14(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [[(E)-3-[3-[(5-chloronaphthalen-2-yl)methoxy]phenyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(CC(=O)NCC(=O)O)OC(=O)CCCCCCCCCCCC(C)C

DOS

IR

Vibrations