Geometry & MOs

Info

ID:

104927

PubChem CID:

50105976

Reduced:

ClO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-159.8

Dipole, Da:

9.62

IP(EA), eV:

 -8.84(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations