Geometry & MOs

Info

ID:

222986

PubChem CID:

85333668

Reduced:

SN11O13C29H49 (1)

Stoich.:

AB11C13D29E49 (1)

Weight, g/mol:

792.449388

ΔHf, kcal/mol:

-591.18

Dipole, Da:

6.28

IP(EA), eV:

 -9.44(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CN

DOS

IR

Vibrations