Geometry & MOs

Info

ID:

106033

PubChem CID:

50147098

Reduced:

ClO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

643.292532

ΔHf, kcal/mol:

-182.77

Dipole, Da:

2.28

IP(EA), eV:

 -8.77(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(2-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)Cl)C

DOS

IR

Vibrations