Geometry & MOs

Info

ID:	312494
PubChem CID:	126605878
Reduced:	SF2O3N6C19H20 (1)
Stoich.:	AB2C3D6E19F20 (1)
Weight, g/mol:	140.040819
ΔH_f, kcal/mol:	-113.55
Dipole, Da:	3.8
IP(EA), eV:	-8.55(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-(3-iminothiophen-2-ylidene)ethanamine

Drug info:

PubChemData

Smile

CC(C(CO)NC(=O)C1=CN(C2=NC=C(N=C12)C(=N)C3=C(C=C(C=C3)F)NC)SF)O

DOS

IR

Vibrations