Geometry & MOs

Info

ID:

215597

PubChem CID:

85084961

Reduced:

SeN6O6C20H37 (2)

Stoich.:

AB6C6D20E37 (2)

Weight, g/mol:

1072.602929

ΔHf, kcal/mol:

-596.01

Dipole, Da:

10.5

IP(EA), eV:

 -8.57(-1.54)

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-(4-nitrophenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]pentanoylamino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C[Se][Se]CC(C(=O)NC(C)C(=O)O)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(C)C)N)C(=O)NC(C)C(=O)O)N

DOS

IR

Vibrations