Geometry & MOs

Info

ID:	84710
PubChem CID:	49869386
Reduced:	ON7H19C25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	357.107319
ΔH_f, kcal/mol:	153.47
Dipole, Da:	8.06
IP(EA), eV:	-9.27(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzoxazol-2-yl)-4-[5-[(E)-3-nitroso-3-oxoprop-1-enyl]-1,2-dihydrotriazol-3-yl]butanoic acid

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3=NC(=CC=C3)NC(=O)C4=NC=CC(=C4)C5=CC6=CC=CC=C6N=C5

DOS

IR

Vibrations