Geometry & MOs

Info

ID:

106482

PubChem CID:

50164964

Reduced:

ClN5O5C31H38 (1)

Stoich.:

AB5C5D31E38 (1)

Weight, g/mol:

611.310769

ΔHf, kcal/mol:

-186.63

Dipole, Da:

8.82

IP(EA), eV:

 -8.93(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-[(4-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations