Geometry & MOs

Info

ID:

437136

PubChem CID:

135215169

Reduced:

N2O2C14H15 (2)

Stoich.:

A2B2C14D15 (2)

Weight, g/mol:

908.534696

ΔHf, kcal/mol:

-34.45

Dipole, Da:

5.81

IP(EA), eV:

 -8.79(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[2-[[1-[[2-[[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxodecan-2-yl]-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CNC(=O)C2=CC3=C(C=C2)C4C5=C(C3O4)C=C(C=C5)C[N+]6(CCOCC6)[O-])C)N

DOS

IR

Vibrations