Geometry & MOs

Info

ID:

375638

PubChem CID:

134214216

Reduced:

O7N13C45H93 (1)

Stoich.:

A7B13C45D93 (1)

Weight, g/mol:

2361.71239

ΔHf, kcal/mol:

-414.95

Dipole, Da:

3.89

IP(EA), eV:

 -8.92(1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[3-[3-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]propyl-[3-[3-[bis[3-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]propyl]amino]propyl]amino]propyl-(2-methoxyethyl)amino]propyl]amino]propyl]amino]propyl]-6-(diaminomethylideneamino)-2-iodohexanamide

Drug info:

PubChemData

Smile

COCCN(CCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCCCN)N)N)CCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCCCN)N)N

DOS

IR

Vibrations