Geometry & MOs

Info

ID:

215596

PubChem CID:

85084960

Reduced:

IN2O22C41H73 (1)

Stoich.:

AB2C22D41E73 (1)

Weight, g/mol:

1074.38796

ΔHf, kcal/mol:

-1032.31

Dipole, Da:

2.58

IP(EA), eV:

 -10.03(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]acetyl]amino]-3-[[2-[[2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]acetyl]amino]-3-(1-carboxyethylamino)-3-oxopropyl]diselanyl]propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)OCCCCCNC(=O)CI)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)NC(=O)C)O

DOS

IR

Vibrations