Geometry & MOs

Info

ID:

45141

PubChem CID:

10508355

Reduced:

N8H36C41 (1)

Stoich.:

A8B36C41 (1)

Weight, g/mol:

640.373704

ΔHf, kcal/mol:

295.4

Dipole, Da:

12.19

IP(EA), eV:

 -8.87(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[(1R)-1-[[(2S)-2-(cycloheptylcarbamoylamino)-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NN2C(=N1)C=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C

DOS

IR

Vibrations