Geometry & MOs

Info

ID:	169655
PubChem CID:	75132128
Reduced:	N3O7C31H35 (1)
Stoich.:	A3B7C31D35 (1)
Weight, g/mol:	633.250872
ΔH_f, kcal/mol:	-255.38
Dipole, Da:	7.17
IP(EA), eV:	-9.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]amino]-2-(phenylmethoxycarbonylamino)hexanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations