Geometry & MOs

Info

ID:	223602
PubChem CID:	85335296
Reduced:	ClSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	452.13592
ΔH_f, kcal/mol:	-142.98
Dipole, Da:	1.45
IP(EA), eV:	-9.69(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[1-[[1-[(2,2-difluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]-3-fluorophenyl]-6-fluorobenzoate

Drug info:

PubChemData

Smile

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)COC(=O)NCCC3=CC=NC=C3

DOS

IR

Vibrations