Geometry & MOs

Info

ID:	121143
PubChem CID:	50757021
Reduced:	BrSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-126.82
Dipole, Da:	2.4
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1NC(=O)CCCN2C3=C(C=CC(=C3)Br)N4C=CC=C4C2=O

DOS

IR

Vibrations