Geometry & MOs

Info

ID:	136758
PubChem CID:	52095890
Reduced:	SO3N6H22C23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	433.157246
ΔH_f, kcal/mol:	92.54
Dipole, Da:	6.07
IP(EA), eV:	-9.43(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2-cyclohexyl-5-imino-6-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C=CC=C2/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5CCCCC5

DOS

IR

Vibrations