Geometry & MOs

Info

ID:

190324

PubChem CID:

77985616

Reduced:

FN2O10C32H35 (1)

Stoich.:

AB2C10D32E35 (1)

Weight, g/mol:

608.391085

ΔHf, kcal/mol:

-414.68

Dipole, Da:

4.25

IP(EA), eV:

 -8.78(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-N-[4-(diaminomethylideneamino)butyl]-2-[[5-(diaminomethylideneamino)-2-[[2-(4-phenylphenyl)acetyl]amino]pentanoyl]amino]hexanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2C(=CC(=N2)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations