Geometry & MOs

Info

ID:	376055
PubChem CID:	134222056
Reduced:	PO21C101H111 (1)
Stoich.:	AB21C101D111 (1)
Weight, g/mol:	107.01827
ΔH_f, kcal/mol:	-668.39
Dipole, Da:	11.8
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N-methylideneacetamide

Drug info:

Smile

CC(=O)CCC(=O)OC1C(OC(C1OC)OCC(C(C(COP(OCC2=CC=CC=C2)OC3C(OC(C3OC)OCC(C(C(COCC4=CC5=CC=CC=C5C=C4)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1

DOS

IR

Vibrations