Geometry & MOs

Info

ID:	154979
PubChem CID:	56314539
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	426.197714
ΔH_f, kcal/mol:	-93.81
Dipole, Da:	0.94
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-5-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)CN4CCSCC4)C)C

DOS

IR

Vibrations