Geometry & MOs

Info

ID:

98671

PubChem CID:

50045673

Reduced:

ClF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

724.295152

ΔHf, kcal/mol:

-272.66

Dipole, Da:

4.95

IP(EA), eV:

 -9.06(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations