Geometry & MOs

Info

ID:	245438
PubChem CID:	99444798
Reduced:	BrFNO2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	479.12817
ΔH_f, kcal/mol:	-91.41
Dipole, Da:	3.55
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=C(C=C(C=C1)C)C)C(=O)COC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations