Geometry & MOs

Info

ID:

191069

PubChem CID:

78101602

Reduced:

O2N7C23H23 (1)

Stoich.:

A2B7C23D23 (1)

Weight, g/mol:

1302.625789

ΔHf, kcal/mol:

72.77

Dipole, Da:

16.93

IP(EA), eV:

-7.88(-1.79)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[1-[[4-amino-1-[[1-[[1-[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide

Drug info:

PubChemData

Smile

CC(=O)O.C1CN=C(N1)C2=CC3=NC(=C4C=CN5C=C(NC5=C4)C6=NCCN6)C=C3C=C2

DOS

IR

Vibrations