Geometry & MOs

Info

ID:

214827

PubChem CID:

85083706

Reduced:

PF2O6N7C27H34 (1)

Stoich.:

AB2C6D7E27F34 (1)

Weight, g/mol:

617.317311

ΔHf, kcal/mol:

-339.1

Dipole, Da:

1.35

IP(EA), eV:

 -9.19(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1COC2=CC3=C(C=C2)C(=NC=N3)NC4CC(NN4)CC(=O)NC5=C(C(=CC=C5)F)F)CCOP(=O)(O)O

DOS

IR

Vibrations