Geometry & MOs

Info

ID:	394535
PubChem CID:	135023151
Reduced:	NC23H25 (1)
Stoich.:	AB23C25 (1)
Weight, g/mol:	634.304287
ΔH_f, kcal/mol:	51.26
Dipole, Da:	2.02
IP(EA), eV:	-9.26(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]propanoate

Drug info:

PubChemData

Smile

CCC1=C([C@@H]2CCCC[C@@H]2N=C1C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations