Geometry & MOs

Info

ID:	114359
PubChem CID:	50480375
Reduced:	F2N4O5C30H30 (1)
Stoich.:	A2B4C5D30E30 (1)
Weight, g/mol:	560.184682
ΔH_f, kcal/mol:	-233.19
Dipole, Da:	6.76
IP(EA), eV:	-8.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations