Geometry & MOs

Info

ID:

117459

PubChem CID:

50603645

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-171.93

Dipole, Da:

4.51

IP(EA), eV:

 -8.53(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-fluoro-5-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations