Geometry & MOs

Info

ID:	63259
PubChem CID:	26750394
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	403.118651
ΔH_f, kcal/mol:	-149.08
Dipole, Da:	6.41
IP(EA), eV:	-9.29(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations