Geometry & MOs

Info

ID:

106841

PubChem CID:

50178731

Reduced:

N6O6C39H46 (1)

Stoich.:

A6B6C39D46 (1)

Weight, g/mol:

712.338461

ΔHf, kcal/mol:

-207.25

Dipole, Da:

7.67

IP(EA), eV:

 -8.85(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations