Geometry & MOs

Info

ID:	176171
PubChem CID:	76003100
Reduced:	N2O6C31H42 (1)
Stoich.:	A2B6C31D42 (1)
Weight, g/mol:	427.178358
ΔH_f, kcal/mol:	-246.2
Dipole, Da:	4.47
IP(EA), eV:	-8.28(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(9H-fluoren-9-ylmethoxycarbonylamino)-6-phenylhex-5-enoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)CC2CC3(CCCCC=C3N(C2=O)CCC4=CCCCC4)C(=O)OC)OC

DOS

IR

Vibrations