Geometry & MOs

Info

ID:	73791
PubChem CID:	48420437
Reduced:	N4O5C12H12 (1)
Stoich.:	A4B5C12D12 (1)
Weight, g/mol:	352.134697
ΔH_f, kcal/mol:	-46.95
Dipole, Da:	9.98
IP(EA), eV:	-10.24(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OCCN2C=NC=N2

DOS

IR

Vibrations