Geometry & MOs

Info

ID:	63247
PubChem CID:	26750334
Reduced:	N2S2O5C23H30 (1)
Stoich.:	A2B2C5D23E30 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-173.45
Dipole, Da:	7.86
IP(EA), eV:	-9.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,4-dimethylanilino)-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)CCS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations