Geometry & MOs

Info

ID:

109860

PubChem CID:

50299968

Reduced:

FN6O6C34H39 (1)

Stoich.:

AB6C6D34E39 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-248.14

Dipole, Da:

6.03

IP(EA), eV:

 -8.8(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC)OC)C)F

DOS

IR

Vibrations