Geometry & MOs

Info

ID:

105932

PubChem CID:

50143307

Reduced:

ClO4N5C28H34 (1)

Stoich.:

AB4C5D28E34 (1)

Weight, g/mol:

547.315855

ΔHf, kcal/mol:

-157.29

Dipole, Da:

7.57

IP(EA), eV:

 -8.88(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-methylpropanoylamino)phenyl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations