Geometry & MOs

Info

ID:

43847

PubChem CID:

10321877

Reduced:

NO4C29H31 (1)

Stoich.:

AB4C29D31 (1)

Weight, g/mol:

457.290034

ΔHf, kcal/mol:

-105.57

Dipole, Da:

2.54

IP(EA), eV:

 -8.17(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-1-[6-amino-2-[[(1R)-1-amino-2-hydroxypropyl]carbamoyl]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)CCC(=O)OC

DOS

IR

Vibrations