Geometry & MOs

Info

ID:	376836
PubChem CID:	134222864
Reduced:	FSO3N5H26C30 (1)
Stoich.:	ABC3D5E26F30 (1)
Weight, g/mol:	266.129824
ΔH_f, kcal/mol:	-37.21
Dipole, Da:	14.55
IP(EA), eV:	-8.88(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(methylamino)-6-methyliminocyclohexa-2,4-dien-1-ylidene]-N'-propylethanimidamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=NC=C3)CC(=O)C4C[C@@H](C[C@H]4C(=O)NCC5=NC6=CC=CC=C6S5)F

DOS

IR

Vibrations