Geometry & MOs

Info

ID:

105879

PubChem CID:

50140477

Reduced:

Cl2O4N5C31H39 (1)

Stoich.:

A2B4C5D31E39 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-180.99

Dipole, Da:

8.0

IP(EA), eV:

 -8.89(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations