Geometry & MOs

Info

ID:

106318

PubChem CID:

50157233

Reduced:

N6O7C39H52 (1)

Stoich.:

A6B7C39D52 (1)

Weight, g/mol:

740.369761

ΔHf, kcal/mol:

-275.97

Dipole, Da:

14.93

IP(EA), eV:

 -8.73(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(4-methoxybenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)OC)C

DOS

IR

Vibrations