Geometry & MOs

Info

ID:

225285

PubChem CID:

85753305

Reduced:

SO10N12C36H54 (1)

Stoich.:

AB10C12D36E54 (1)

Weight, g/mol:

893.483148

ΔHf, kcal/mol:

-434.31

Dipole, Da:

4.95

IP(EA), eV:

 -8.56(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC3C(=O)NCC(=O)NC(CS)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)N)O

DOS

IR

Vibrations