Geometry & MOs

Info

ID:

340113

PubChem CID:

127262122

Reduced:

N5O5C27H41 (1)

Stoich.:

A5B5C27D41 (1)

Weight, g/mol:

568.288844

ΔHf, kcal/mol:

-221.84

Dipole, Da:

7.76

IP(EA), eV:

 -9.27(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]-[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]hexanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(CC1=CC(=O)OC2=CC=CC=C21)[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](C(C)C)N

DOS

IR

Vibrations