Geometry & MOs

Info

ID:	24342
PubChem CID:	609442
Reduced:	SO2N5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	353.094646
ΔH_f, kcal/mol:	102.8
Dipole, Da:	5.42
IP(EA), eV:	-8.86(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=CN=C3S2)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations