Geometry & MOs

Info

ID:

168615

PubChem CID:

74995358

Reduced:

PN4O9C35H44 (1)

Stoich.:

AB4C9D35E44 (1)

Weight, g/mol:

606.339366

ΔHf, kcal/mol:

-363.76

Dipole, Da:

12.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762997

Charge, e:

 0

Chem-info

IUPAC name:

[6-methyl-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-[[1-(4-methylpentanoylamino)-1-oxopropan-2-yl]amino]-1-oxoheptan-3-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)NCC(=O)O)NP(=O)([O-])OCC

DOS

IR

Vibrations