Geometry & MOs

Info

ID:	434656
PubChem CID:	135175432
Reduced:	ClSF2N5O5C38H44 (1)
Stoich.:	ABC2D5E5F38G44 (1)
Weight, g/mol:	244.054715
ΔH_f, kcal/mol:	-264.95
Dipole, Da:	4.8
IP(EA), eV:	-9.31(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,3-difluoro-3-(4-methoxyphenyl)-2-oxopropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)(F)F)NS(=O)(=O)C4=CC5=C(C=C4)N(N=C5)CC6CCCC6

DOS

IR

Vibrations