Geometry & MOs

Info

ID:	73777
PubChem CID:	48420405
Reduced:	SN4O6C17H18 (1)
Stoich.:	AB4C6D17E18 (1)
Weight, g/mol:	347.122969
ΔH_f, kcal/mol:	-160.56
Dipole, Da:	3.87
IP(EA), eV:	-9.82(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-morpholin-4-yl-5-nitrobenzoate

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCCN4C=NC=N4

DOS

IR

Vibrations