Geometry & MOs

Info

ID:	443051
PubChem CID:	135257536
Reduced:	NO5C26H27 (1)
Stoich.:	AB5C26D27 (1)
Weight, g/mol:	607.293388
ΔH_f, kcal/mol:	-166.79
Dipole, Da:	5.54
IP(EA), eV:	-9.14(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[[4-(oxan-4-yl)phenyl]methyl]amino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)C(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations