Geometry & MOs

Info

ID:	63254
PubChem CID:	26750353
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	407.093579
ΔH_f, kcal/mol:	-109.7
Dipole, Da:	4.49
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chloro-2-fluoroanilino)-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)/C=C/C3=CC=CO3

DOS

IR

Vibrations