Geometry & MOs

Info

ID:

214885

PubChem CID:

85083800

Reduced:

PF2O6N7C28H38 (1)

Stoich.:

AB2C6D7E28F38 (1)

Weight, g/mol:

633.333355

ΔHf, kcal/mol:

-339.05

Dipole, Da:

5.93

IP(EA), eV:

 -9.03(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CCCCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3CC(NN3)CC(=O)NC4=C(C(=CC=C4)F)F)CCOP(=O)(O)O

DOS

IR

Vibrations