Geometry & MOs

Info

ID:

105350

PubChem CID:

50106975

Reduced:

ClO5N6C28H35 (1)

Stoich.:

AB5C6D28E35 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-205.2

Dipole, Da:

8.89

IP(EA), eV:

 -8.88(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations