Geometry & MOs

Info

ID:	66828
PubChem CID:	46505339
Reduced:	S2O4N5H13C14 (1)
Stoich.:	A2B4C5D13E14 (1)
Weight, g/mol:	448.087512
ΔH_f, kcal/mol:	41.78
Dipole, Da:	5.01
IP(EA), eV:	-9.13(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[5-imino-3-(2-methylpropylsulfanyl)-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl]-2-methoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=N)N21

DOS

IR

Vibrations