Geometry & MOs

Info

ID:

105759

PubChem CID:

50139410

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-223.99

Dipole, Da:

3.79

IP(EA), eV:

 -8.99(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluoro-2-methylphenyl)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=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC5)C)C

DOS

IR

Vibrations