Geometry & MOs

Info

ID:	393511
PubChem CID:	135020876
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-73.99
Dipole, Da:	6.69
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-prop-2-ynoxybutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCN=[N+]=[N-])CC(=O)O

DOS

IR

Vibrations