Geometry & MOs

Info

ID:

104645

PubChem CID:

50104816

Reduced:

ClO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-207.97

Dipole, Da:

6.83

IP(EA), eV:

 -8.93(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations