Geometry & MOs

Info

ID:

105523

PubChem CID:

50111190

Reduced:

F2O4N5C27H33 (1)

Stoich.:

A2B4C5D27E33 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-230.38

Dipole, Da:

6.04

IP(EA), eV:

 -8.87(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations