Geometry & MOs

Info

ID:	243879
PubChem CID:	99300561
Reduced:	NO3S3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	427.1265
ΔH_f, kcal/mol:	-40.25
Dipole, Da:	4.85
IP(EA), eV:	-8.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCSCC(=O)N2CCC3=C([C@H]2C4=CC=CS4)C=CS3

DOS

IR

Vibrations