Geometry & MOs

Info

ID:	383422
PubChem CID:	134975134
Reduced:	N2H18C19 (1)
Stoich.:	A2B18C19 (1)
Weight, g/mol:	643.325751
ΔH_f, kcal/mol:	78.77
Dipole, Da:	0.95
IP(EA), eV:	-8.29(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-[(1S)-1-phenylethyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CNC(=C1)C(C2=CC=CC=C2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations