Geometry & MOs

Info

ID:

117455

PubChem CID:

50603577

Reduced:

BrClO5N6C30H36 (1)

Stoich.:

ABC5D6E30F36 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-186.29

Dipole, Da:

6.93

IP(EA), eV:

 -8.96(-0.64)

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-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl)Br

DOS

IR

Vibrations