Geometry & MOs

Info

ID:

107411

PubChem CID:

50202053

Reduced:

ClO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

736.318475

ΔHf, kcal/mol:

-170.67

Dipole, Da:

5.02

IP(EA), eV:

 -9.11(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorobenzoyl)amino]phenyl]-1-[1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations