Geometry & MOs

Info

ID:	195278
PubChem CID:	78668151
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	373.14895
ΔH_f, kcal/mol:	-5.63
Dipole, Da:	7.75
IP(EA), eV:	-9.15(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

Drug info:

PubChemData

Smile

CC(C(=O)NCC=C)OC(=O)C=CC1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

DOS

IR

Vibrations