Geometry & MOs

Info

ID:	154983
PubChem CID:	56314543
Reduced:	SO2N3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	460.08201
ΔH_f, kcal/mol:	-16.12
Dipole, Da:	4.65
IP(EA), eV:	-8.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3=C(OC(=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations