Geometry & MOs

Info

ID:

375637

PubChem CID:

134214211

Reduced:

N12O13C62H106 (1)

Stoich.:

A12B13C62D106 (1)

Weight, g/mol:

927.732092

ΔHf, kcal/mol:

-677.78

Dipole, Da:

6.19

IP(EA), eV:

 -8.55(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2,6-diamino-N-[6-[[(5S)-5-amino-6-[3-[3-[[(2S)-2-amino-6-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexanoylamino]hexanoyl]amino]propyl-(2-methoxyethyl)amino]propylamino]-6-oxohexyl]amino]-6-oxohexyl]hexanamide

Drug info:

PubChemData

Smile

C[C@](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)NC(=O)OC(C)(C)C)CCOC1=CC2=C(C=C1)C=C(C=C2)CCCCN)N

DOS

IR

Vibrations