Geometry & MOs

Info

ID:

106174

PubChem CID:

50151433

Reduced:

ClO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-175.79

Dipole, Da:

10.63

IP(EA), eV:

 -8.94(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations