Geometry & MOs

Info

ID:

56990

PubChem CID:

22395189

Reduced:

N10O13C48H68 (1)

Stoich.:

A10B13C48D68 (1)

Weight, g/mol:

1077.56073

ΔHf, kcal/mol:

-568.67

Dipole, Da:

2.86

IP(EA), eV:

 -8.89(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[4-amino-1-[[1-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations