Geometry & MOs

Info

ID:

108669

PubChem CID:

50253586

Reduced:

ClO4N5C30H32 (1)

Stoich.:

AB4C5D30E32 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-122.22

Dipole, Da:

8.88

IP(EA), eV:

 -8.71(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-(dimethylcarbamoyl)-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations