Geometry & MOs

Info

ID:	159945
PubChem CID:	57299211
Reduced:	N5O5C17H21 (1)
Stoich.:	A5B5C17D21 (1)
Weight, g/mol:	632.29987
ΔH_f, kcal/mol:	-111.04
Dipole, Da:	2.8
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-6-[[(2S)-4-amino-1-naphthalen-2-yl-4-oxobutan-2-yl]-ethylamino]-5-[(1-benzylindole-3-carbonyl)amino]-6-oxohexanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(C#CC2=NC(=C3C(=N2)N(C=N3)[C@H]4C(C([C@H](O4)CO)O)O)N)O

DOS

IR

Vibrations