Geometry & MOs

Info

ID:	155002
PubChem CID:	56314565
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	405.115855
ΔH_f, kcal/mol:	-73.03
Dipole, Da:	7.26
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-cyano-3-fluoroanilino)ethyl]-4-(2-methoxyethylsulfonyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=CC=C2C)C)C(=O)NC3=CC(=CC=C3)OCC(=O)NC

DOS

IR

Vibrations