Geometry & MOs

Info

ID:

168593

PubChem CID:

74991812

Reduced:

N11O17C50H89 (1)

Stoich.:

A11B17C50D89 (1)

Weight, g/mol:

1031.534121

ΔHf, kcal/mol:

-814.99

Dipole, Da:

11.94

IP(EA), eV:

 -9.57(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[4-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]anilino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[(2-amino-3-phenylpropanoyl)amino]pentanediamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN(CCCNC(=O)C(C(C(C)C)O)NC(=O)C(C1CCN=C(N1)N)NC(=O)NC(C(C)C)C(=O)O)C(C(C2C(C(C(O2)N3CCC(=O)NC3=O)O)O)OC4C(C(C(O4)CN)O)OC)C(=O)O

DOS

IR

Vibrations