Geometry & MOs

Info

ID:

105760

PubChem CID:

50139411

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-229.95

Dipole, Da:

8.62

IP(EA), eV:

 -8.76(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations