Geometry & MOs

Info

ID:

45126

PubChem CID:

10508193

Reduced:

O4N7C35H43 (1)

Stoich.:

A4B7C35D43 (1)

Weight, g/mol:

626.308066

ΔHf, kcal/mol:

-96.84

Dipole, Da:

6.83

IP(EA), eV:

 -9.0(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-[[(2S)-4-(benzylamino)-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutyl]-(2-methoxy-2-oxoethoxy)phosphinic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)N[C@@H](CC1=CN=CN1)C(=O)N(C)[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N(C)[C@H](CC4=CC=CC=C4)C(=O)NC)N

DOS

IR

Vibrations