Geometry & MOs

Info

ID:	107972
PubChem CID:	50225828
Reduced:	F2O3N4C32H36 (1)
Stoich.:	A2B3C4D32E36 (1)
Weight, g/mol:	598.13911
ΔH_f, kcal/mol:	-182.72
Dipole, Da:	5.03
IP(EA), eV:	-9.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)C

DOS

IR

Vibrations