Geometry & MOs

Info

ID:

302325

PubChem CID:

124361241

Reduced:

SN3O3C25H27 (1)

Stoich.:

AB3C3D25E27 (1)

Weight, g/mol:

451.247107

ΔHf, kcal/mol:

-67.95

Dipole, Da:

2.39

IP(EA), eV:

 -9.04(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)C3=CC=CC=C3C2=O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NC5CC5)C

DOS

IR

Vibrations