Geometry & MOs

Info

ID:	32571
PubChem CID:	7845773
Reduced:	SF2N2O3H20C21 (1)
Stoich.:	AB2C2D3E20F21 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	-156.39
Dipole, Da:	4.97
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations