Geometry & MOs

Info

ID:	60036
PubChem CID:	26665812
Reduced:	SO2N3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	365.123878
ΔH_f, kcal/mol:	-13.31
Dipole, Da:	4.94
IP(EA), eV:	-8.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[C@@H](C4=CC=CC=C4)NC(=O)C

DOS

IR

Vibrations