Geometry & MOs

Info

ID:	160090
PubChem CID:	57304694
Reduced:	NO5C33H37 (1)
Stoich.:	AB5C33D37 (1)
Weight, g/mol:	507.182792
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	5.76
IP(EA), eV:	-9.11(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[butyl-[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]acetate

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C(=CNOCC2=CC=CC=C2)[C@@H]1O)CC=CCCCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations