Geometry & MOs

Info

ID:	32566
PubChem CID:	7845497
Reduced:	OSF3N5C15H18 (1)
Stoich.:	ABC3D5E15F18 (1)
Weight, g/mol:	380.162374
ΔH_f, kcal/mol:	-132.12
Dipole, Da:	7.68
IP(EA), eV:	-9.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)SC2=NN=C(N2N)C(F)(F)F)C

DOS

IR

Vibrations