Geometry & MOs

Info

ID:	105134
PubChem CID:	50106452
Reduced:	O5N6C31H40 (1)
Stoich.:	A5B6C31D40 (1)
Weight, g/mol:	562.259148
ΔH_f, kcal/mol:	-204.62
Dipole, Da:	10.64
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

DOS

IR

Vibrations