Geometry & MOs

Info

ID:	44104
PubChem CID:	10500702
Reduced:	O4N6H16C19 (1)
Stoich.:	A4B6C16D19 (1)
Weight, g/mol:	392.115441
ΔH_f, kcal/mol:	98.35
Dipole, Da:	10.66
IP(EA), eV:	-9.52(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylideneamino]-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C3)C

DOS

IR

Vibrations