Geometry & MOs

Info

ID:

219986

PubChem CID:

85165115

Reduced:

O11C33H54 (1)

Stoich.:

A11B33C54 (1)

Weight, g/mol:

626.358054

ΔHf, kcal/mol:

-495.11

Dipole, Da:

2.71

IP(EA), eV:

 -8.21(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[1-[[2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-benzyl-1H-imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1C(OC(OC1C(COC(=O)C(C)(C)C)OCOC)C2=CC(=C(C=C2)OC)OC)C(C)C(C(=CC(C)CO)C)OCOC

DOS

IR

Vibrations