Geometry & MOs

Info

ID:

59865

PubChem CID:

24900526

Reduced:

SN8H22C23 (1)

Stoich.:

AB8C22D23 (1)

Weight, g/mol:

935.44294

ΔHf, kcal/mol:

201.17

Dipole, Da:

4.02

IP(EA), eV:

-8.72(-1.08)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCC1=NN2C(=NN=C2SC3=CC4=CC(=CN=C4C=C3)C5=CN(N=C5)CC6CNC6)C=C1

DOS

IR

Vibrations