Geometry & MOs

Info

ID:	387705
PubChem CID:	134986510
Reduced:	NOS2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	222.035317
ΔH_f, kcal/mol:	15.26
Dipole, Da:	2.39
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanoimino-2,6-difluoro-3-methoxycyclohexa-2,5-dien-1-ylidene)cyanamide

Drug info:

PubChemData

Smile

CS[C@H]([C@@H](C1=CC=CC=C1)O)SC2=CC=CC=N2

DOS

IR

Vibrations