Geometry & MOs

Info

ID:	245390
PubChem CID:	99444215
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	468.151907
ΔH_f, kcal/mol:	-11.87
Dipole, Da:	4.22
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide

Drug info:

PubChemData

Smile

C1CC(CCC1C2=CC=CC=C2)NC(=O)CN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations