Geometry & MOs

Info

ID:

215470

PubChem CID:

85084783

Reduced:

O10N12C45H66 (1)

Stoich.:

A10B12C45D66 (1)

Weight, g/mol:

936.267428

ΔHf, kcal/mol:

-431.21

Dipole, Da:

3.84

IP(EA), eV:

 -9.42(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

N-[[1-[2-(2,4-difluorobenzoyl)benzoyl]-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidin-2-yl]methyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]prop-2-enamide;sulfate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C(=O)N2CCCC2C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CC=CC=C3)C(=O)O)N

DOS

IR

Vibrations