Geometry & MOs

Info

ID:

91908

PubChem CID:

49980055

Reduced:

FN6O7C38H45 (1)

Stoich.:

AB6C7D38E45 (1)

Weight, g/mol:

732.34469

ΔHf, kcal/mol:

-287.0

Dipole, Da:

8.99

IP(EA), eV:

 -8.79(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3,4-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-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=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)OC)F

DOS

IR

Vibrations