Geometry & MOs

Info

ID:

186642

PubChem CID:

77460384

Reduced:

N3O6C20H35 (1)

Stoich.:

A3B6C20D35 (1)

Weight, g/mol:

525.295119

ΔHf, kcal/mol:

-328.56

Dipole, Da:

3.83

IP(EA), eV:

 -9.58(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-(methylamino)but-1-en-2-ylamino]-5-oxo-N-[[3-[(2-oxooxolan-3-yl)carbamoyl]phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)N1C(CCC1C(=O)O)C)NC(=O)C(C)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations