Geometry & MOs

Info

ID:

223032

PubChem CID:

85334077

Reduced:

N10O15C43H74 (1)

Stoich.:

A10B15C43D74 (1)

Weight, g/mol:

970.592364

ΔHf, kcal/mol:

-733.68

Dipole, Da:

11.6

IP(EA), eV:

 -7.66(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[5-amino-2-[2-[[6-amino-2-[[2-[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]propanoylamino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(C)N

DOS

IR

Vibrations