Geometry & MOs

Info

ID:

215615

PubChem CID:

85084988

Reduced:

SN11O13C52H73 (1)

Stoich.:

AB11C13D52E73 (1)

Weight, g/mol:

1092.597467

ΔHf, kcal/mol:

-556.01

Dipole, Da:

1.93

IP(EA), eV:

 -9.05(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[1-[1-[1-[2-[[1-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(=O)N)C(=O)O)N

DOS

IR

Vibrations