Geometry & MOs

Info

ID:	311078
PubChem CID:	126589175
Reduced:	NF3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	514.279135
ΔH_f, kcal/mol:	-264.03
Dipole, Da:	4.8
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-6-amino-2-[[2-[[2-methyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxycarbonylamino]acetyl]amino]hexanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C(F)(F)F)NC(=O)OC)C

DOS

IR

Vibrations