Geometry & MOs

Info

ID:	106633
PubChem CID:	50171073
Reduced:	O3N4C30H40 (1)
Stoich.:	A3B4C30D40 (1)
Weight, g/mol:	586.19548
ΔH_f, kcal/mol:	-135.15
Dipole, Da:	5.04
IP(EA), eV:	-8.69(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations