Geometry & MOs

Info

ID:	300194
PubChem CID:	121147462
Reduced:	ClSO2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	208.076039
ΔH_f, kcal/mol:	0.45
Dipole, Da:	4.97
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(aminomethylideneamino)methylideneamino]-3-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C(SC=C2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations