Geometry & MOs

Info

ID:

223131

PubChem CID:

85334557

Reduced:

SO15N16C51H92 (1)

Stoich.:

AB15C16D51E92 (1)

Weight, g/mol:

1202.61899

ΔHf, kcal/mol:

-741.89

Dipole, Da:

13.59

IP(EA), eV:

 -8.98(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CO)NC(=O)C(CS)N

DOS

IR

Vibrations