Geometry & MOs

Info

ID:

223040

PubChem CID:

85334137

Reduced:

SN6O6C21H33 (2)

Stoich.:

AB6C6D21E33 (2)

Weight, g/mol:

1007.649151

ΔHf, kcal/mol:

-536.84

Dipole, Da:

5.26

IP(EA), eV:

 -8.48(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoylamino]-3-methylpentanoyl]-methylamino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations