Geometry & MOs

Info

ID:

118004

PubChem CID:

50623954

Reduced:

ClN4O4C27H35 (1)

Stoich.:

AB4C4D27E35 (1)

Weight, g/mol:

676.257624

ΔHf, kcal/mol:

-156.03

Dipole, Da:

8.72

IP(EA), eV:

 -8.48(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C)OC)Cl

DOS

IR

Vibrations