Geometry & MOs

Info

ID:	33507
PubChem CID:	7886776
Reduced:	OF2N2S2H14C18 (1)
Stoich.:	AB2C2D2E14F18 (1)
Weight, g/mol:	364.071366
ΔH_f, kcal/mol:	-49.95
Dipole, Da:	2.3
IP(EA), eV:	-8.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC(=C(C=C1)F)F)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations