Geometry & MOs

Info

ID:	33411
PubChem CID:	7886330
Reduced:	FOS2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	344.125988
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	1.87
IP(EA), eV:	-8.97(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-(methoxymethyl)benzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1F)SC2=NC=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations