Geometry & MOs

Info

ID:

95962

PubChem CID:

50017461

Reduced:

FN6O6C42H45 (1)

Stoich.:

AB6C6D42E45 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-213.7

Dipole, Da:

10.36

IP(EA), eV:

 -8.65(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6)OC

DOS

IR

Vibrations