Geometry & MOs

Info

ID:	57016
PubChem CID:	22395223
Reduced:	ClSN3O5C16H16 (1)
Stoich.:	ABC3D5E16F16 (1)
Weight, g/mol:	127.990756
ΔH_f, kcal/mol:	-95.71
Dipole, Da:	0.91
IP(EA), eV:	-8.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoropropanethial

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)/C(=N/OC)/C2=CSC(=N2)NC(=O)CCl

DOS

IR

Vibrations