Geometry & MOs

Info

ID:

320179

PubChem CID:

126658560

Reduced:

PN2O9C21H39 (1)

Stoich.:

AB2C9D21E39 (1)

Weight, g/mol:

542.321668

ΔHf, kcal/mol:

-520.53

Dipole, Da:

6.57

IP(EA), eV:

 -10.04(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-5-(diaminomethylideneamino)-2-[[2-[3-methyl-1-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1CCCCCC2(CCCCC1)CCC(NC(=O)N2C3C(C(C(O3)COP(=O)(O)O)O)O)O

DOS

IR

Vibrations