Geometry & MOs

Info

ID:

95613

PubChem CID:

50010728

Reduced:

ClO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

571.279469

ΔHf, kcal/mol:

-170.06

Dipole, Da:

9.1

IP(EA), eV:

 -9.07(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations