Geometry & MOs

Info

ID:

100792

PubChem CID:

50064033

Reduced:

FCl2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

627.181538

ΔHf, kcal/mol:

-181.19

Dipole, Da:

11.26

IP(EA), eV:

 -8.7(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations