Geometry & MOs

Info

ID:

114698

PubChem CID:

50493348

Reduced:

F2O4N5C38H39 (1)

Stoich.:

A2B4C5D38E39 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-200.67

Dipole, Da:

7.78

IP(EA), eV:

 -8.68(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(diethylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C)C)F

DOS

IR

Vibrations