Geometry & MOs

Info

ID:

175879

PubChem CID:

75964866

Reduced:

N13O13C61H103 (1)

Stoich.:

A13B13C61D103 (1)

Weight, g/mol:

1155.737966

ΔHf, kcal/mol:

-674.53

Dipole, Da:

9.11

IP(EA), eV:

 -9.53(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[[2-[[1-[2-[[4-(dimethylamino)-2-[[2-(octanoylamino)-3-phenylpropanoyl]amino]butanoyl]amino]-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N2CC(CC2C(=O)N(C)C(CC(C)(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)N)O

DOS

IR

Vibrations