Geometry & MOs

Info

ID:

375645

PubChem CID:

134214252

Reduced:

ClO14N18C67H109 (1)

Stoich.:

AB14C18D67E109 (1)

Weight, g/mol:

485.39142

ΔHf, kcal/mol:

-658.25

Dipole, Da:

8.41

IP(EA), eV:

 -8.36(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[3-[3-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]propyl-methylamino]propyl]-6-(diaminomethylideneamino)hexanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCCCN(CCCNC(=O)[C@@H](CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N)CCOC1=CC=C(C2=CC=CC=C21)CCCCN=C(N)NC(=O)C3=C(N=C(C(=N3)Cl)N)N

DOS

IR

Vibrations