Geometry & MOs

Info

ID:	48426
PubChem CID:	10547769
Reduced:	ClSN3O4H14C16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	380.126444
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	8.61
IP(EA), eV:	-8.99(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[dimethyl-[3-[4-(3-nitro-1,2,4-triazol-1-yl)-2-oxopyrimidin-1-yl]propyl]silyl]methyl acetate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC=C1[S+]2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C.[Cl-]

DOS

IR

Vibrations