Geometry & MOs

Info

ID:

115722

PubChem CID:

50532013

Reduced:

ClO4N5C26H32 (1)

Stoich.:

AB4C5D26E32 (1)

Weight, g/mol:

575.229932

ΔHf, kcal/mol:

-146.41

Dipole, Da:

7.99

IP(EA), eV:

 -8.87(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[2-methyl-6-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations