Geometry & MOs

Info

ID:

392758

PubChem CID:

135017862

Reduced:

NOSH21C22 (1)

Stoich.:

ABCD21E22 (1)

Weight, g/mol:

595.305124

ΔHf, kcal/mol:

60.37

Dipole, Da:

2.31

IP(EA), eV:

 -8.23(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-azidopropanoyl]amino]propanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-4-azido-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC(C/C(=N\O)/C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations