Geometry & MOs

Info

ID:	195890
PubChem CID:	78745785
Reduced:	SO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	347.049127
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	6.83
IP(EA), eV:	-8.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCOC)C)C(=O)CN2CCCC(C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations