Geometry & MOs

Info

ID:	175728
PubChem CID:	75942199
Reduced:	SO2N3C25H34 (1)
Stoich.:	AB2C3D25E34 (1)
Weight, g/mol:	439.229348
ΔH_f, kcal/mol:	-41.26
Dipole, Da:	6.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753127
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[3-methyl-1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)CC[NH+]3CCSCC3

DOS

IR

Vibrations