Geometry & MOs

Info

ID:

106150

PubChem CID:

50150911

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-266.24

Dipole, Da:

6.68

IP(EA), eV:

 -8.88(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations