Geometry & MOs

Info

ID:

91697

PubChem CID:

49978337

Reduced:

FN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

718.329039

ΔHf, kcal/mol:

-254.53

Dipole, Da:

3.23

IP(EA), eV:

 -9.24(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations