Geometry & MOs

Info

ID:	78379
PubChem CID:	49689293
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	382.121195
ΔH_f, kcal/mol:	-90.22
Dipole, Da:	5.25
IP(EA), eV:	-9.07(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2COC3=CC=CC=C3O2)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations