Geometry & MOs

Info

ID:

107656

PubChem CID:

50212935

Reduced:

ClO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

611.347155

ΔHf, kcal/mol:

-146.11

Dipole, Da:

3.74

IP(EA), eV:

 -8.45(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C)C

DOS

IR

Vibrations