Geometry & MOs

Info

ID:	83580
PubChem CID:	49858169
Reduced:	O2N7C27H27 (1)
Stoich.:	A2B7C27D27 (1)
Weight, g/mol:	451.083806
ΔH_f, kcal/mol:	80.35
Dipole, Da:	8.16
IP(EA), eV:	-9.02(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3E)-3-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NN=C2C1=C(N=C3N2NC=C3C4=CN=C(C=C4)C5=CC=CC=C5)C6CCN(CC6)C(=O)[C@@H](C)O

DOS

IR

Vibrations