Geometry & MOs

Info

ID:

186234

PubChem CID:

77406409

Reduced:

N5O7C29H45 (1)

Stoich.:

A5B7C29D45 (1)

Weight, g/mol:

685.374038

ΔHf, kcal/mol:

-319.47

Dipole, Da:

9.51

IP(EA), eV:

 -9.48(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[3-[5-[4-[6-[2-(5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)C(=O)O)C(=O)NC(C4CCC4)C(=O)C(=O)N)C

DOS

IR

Vibrations