Geometry & MOs

Info

ID:

164658

PubChem CID:

74433174

Reduced:

S2N7O12C38H55 (1)

Stoich.:

A2B7C12D38E55 (1)

Weight, g/mol:

988.5124

ΔHf, kcal/mol:

-458.33

Dipole, Da:

5.64

IP(EA), eV:

 -8.86(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]acetyl]amino]-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCSSCC(C(=O)N)NC(=O)C(CCCCNC(=O)CONC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)COCCOCNC(=O)OCCOCCN

DOS

IR

Vibrations