Geometry & MOs

Info

ID:	153613
PubChem CID:	56312882
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	368.190006
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	2.37
IP(EA), eV:	-9.01(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)/C=C/C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations