Geometry & MOs

Info

ID:

449756

PubChem CID:

135301212

Reduced:

N7O11C48H61 (1)

Stoich.:

A7B11C48D61 (1)

Weight, g/mol:

824.46973

ΔHf, kcal/mol:

-271.73

Dipole, Da:

10.13

IP(EA), eV:

 -8.17(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[5-[5-[4-[2-[1-[[2-(dimethylcarbamoyloxy)-2-(1-methylcyclopropyl)butanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]pyrazin-2-yl]-1H-imidazol-2-yl]methylamino]-2-(1-methylcyclopropyl)-1-oxobutan-2-yl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCOC2=C(C=CC(=C2)C(=O)C(=O)N3CCCCC3C(=O)N[C@H](C(=O)NC(N([C@@H](C(=O)N[C@@H](C(=O)N1)CC4=CC=C(C=C4)O)CC(C)C)C)C=O)CCC5=CC=CC=C5)OC

DOS

IR

Vibrations