Geometry & MOs

Info

ID:	327975
PubChem CID:	126691592
Reduced:	N3O5F6C34H37 (1)
Stoich.:	A3B5C6D34E37 (1)
Weight, g/mol:	206.998159
ΔH_f, kcal/mol:	-472.31
Dipole, Da:	4.13
IP(EA), eV:	-8.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-amino-3-[diazenyl(sulfanyl)methyl]imino-2-iminopropanoyl chloride

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C(C)(C)CC(O)OC)OC)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations