Geometry & MOs

Info

ID:	63249
PubChem CID:	26750338
Reduced:	SN4O4C23H26 (1)
Stoich.:	AB4C4D23E26 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-99.88
Dipole, Da:	5.53
IP(EA), eV:	-9.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-ethoxyanilino)-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)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations