Geometry & MOs

Info

ID:

92136

PubChem CID:

49983257

Reduced:

Cl2O4N5C30H37 (1)

Stoich.:

A2B4C5D30E37 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-176.66

Dipole, Da:

6.23

IP(EA), eV:

 -9.12(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations