Geometry & MOs

Info

ID:

106964

PubChem CID:

50183328

Reduced:

ClN6O6C30H37 (1)

Stoich.:

AB6C6D30E37 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-234.67

Dipole, Da:

9.54

IP(EA), eV:

 -8.95(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyanilino]-2-oxoethyl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations