Geometry & MOs

Info

ID:

103512

PubChem CID:

50071642

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

762.354111

ΔHf, kcal/mol:

-196.06

Dipole, Da:

4.86

IP(EA), eV:

 -8.6(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-methoxy-4-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=CC(=C4)C)C)F

DOS

IR

Vibrations