Geometry & MOs

Info

ID:

107650

PubChem CID:

50212752

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-212.07

Dipole, Da:

7.47

IP(EA), eV:

 -8.89(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[(2-fluorophenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC)C)Cl

DOS

IR

Vibrations