Geometry & MOs

Info

ID:

95372

PubChem CID:

50008850

Reduced:

ClO4N5C28H34 (1)

Stoich.:

AB4C5D28E34 (1)

Weight, g/mol:

656.312247

ΔHf, kcal/mol:

-152.47

Dipole, Da:

7.49

IP(EA), eV:

 -8.88(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations