Geometry & MOs

Info

ID:

113973

PubChem CID:

50466750

Reduced:

ClO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

702.354111

ΔHf, kcal/mol:

-152.46

Dipole, Da:

4.41

IP(EA), eV:

 -8.48(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(diethylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC(=CC=C6)Cl)C)C

DOS

IR

Vibrations