Geometry & MOs

Info

ID:

222995

PubChem CID:

85333707

Reduced:

SN10O13C32H48 (1)

Stoich.:

AB10C13D32E48 (1)

Weight, g/mol:

812.47694

ΔHf, kcal/mol:

-549.87

Dipole, Da:

5.11

IP(EA), eV:

 -8.72(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[[2-[[6-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations