Geometry & MOs

Info

ID:	234084
PubChem CID:	92297684
Reduced:	O4N7C31H35 (1)
Stoich.:	A4B7C31D35 (1)
Weight, g/mol:	292.080769
ΔH_f, kcal/mol:	-14.53
Dipole, Da:	4.64
IP(EA), eV:	-8.36(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-but-3-en-2-yl]-4-(4-hydroxy-3-nitrophenyl)-1,2,4-triazolidine-3,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N([C@H](C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)CN4N=C(N=N4)C5=CC(=C(C=C5)OC)OC)C

DOS

IR

Vibrations