Geometry & MOs

Info

ID:

106783

PubChem CID:

50176495

Reduced:

N6O7C39H46 (1)

Stoich.:

A6B7C39D46 (1)

Weight, g/mol:

728.333376

ΔHf, kcal/mol:

-233.21

Dipole, Da:

12.73

IP(EA), eV:

 -8.52(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyphenyl]-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=C(C=CC(=C5)C(=O)NC6=CC=CC=C6)OC

DOS

IR

Vibrations