Geometry & MOs

Info

ID:	73765
PubChem CID:	48420375
Reduced:	ClO2N5H12C14 (1)
Stoich.:	AB2C5D12E14 (1)
Weight, g/mol:	401.99974
ΔH_f, kcal/mol:	33.07
Dipole, Da:	3.41
IP(EA), eV:	-9.55(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-[(4-bromophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C=C(C=N2)C(=O)OCCN3C=NC=N3)Cl

DOS

IR

Vibrations