Geometry & MOs

Info

ID:

91791

PubChem CID:

49979134

Reduced:

FO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

730.329039

ΔHf, kcal/mol:

-210.96

Dipole, Da:

10.23

IP(EA), eV:

 -8.7(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)F

DOS

IR

Vibrations