Geometry & MOs

Info

ID:	112353
PubChem CID:	50403810
Reduced:	BrO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	587.290783
ΔH_f, kcal/mol:	-147.77
Dipole, Da:	6.61
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-anilino-1-oxopropan-2-yl)-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3Br)C(=O)NC

DOS

IR

Vibrations