Geometry & MOs

Info

ID:

95617

PubChem CID:

50010739

Reduced:

ClO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-165.35

Dipole, Da:

8.75

IP(EA), eV:

 -9.06(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(butan-2-ylcarbamoyl)-3-chlorophenyl]-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=C(C=CC(=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations