Geometry & MOs

Info

ID:

219739

PubChem CID:

85164721

Reduced:

N5O8C29H31 (1)

Stoich.:

A5B8C29D31 (1)

Weight, g/mol:

577.32642

ΔHf, kcal/mol:

-212.14

Dipole, Da:

6.55

IP(EA), eV:

 -9.14(-1.06)

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-cyclopropyl-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CC1C(=O)N(CCN1C(=O)C(CC2=CC=C(C=C2)OCC#C)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

DOS

IR

Vibrations