Geometry & MOs

Info

ID:

191412

PubChem CID:

78144063

Reduced:

BN6O10C42H58 (1)

Stoich.:

AB6C10D42E58 (1)

Weight, g/mol:

483.280532

ΔHf, kcal/mol:

-442.0

Dipole, Da:

2.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.996297

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[[2-[[2-[(2-azido-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

[B-]1(OC(C(O1)C2=CC=CC=C2OC)C3=CC=CC=C3OC)(C4=CC=CC=C4CNC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(=O)N)OC

DOS

IR

Vibrations