Geometry & MOs

Info

ID:	133064
PubChem CID:	51471485
Reduced:	O2S2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	231.051815
ΔH_f, kcal/mol:	-28.45
Dipole, Da:	7.39
IP(EA), eV:	-9.05(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(1H-1,2,4-triazol-5-yl)-1,3-benzodioxole-5-carboximidate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=O)C[C@@H](C3=CC=CS3)NC(=O)N

DOS

IR

Vibrations