Geometry & MOs

Info

ID:	363531
PubChem CID:	127311610
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-15.45
Dipole, Da:	4.49
IP(EA), eV:	-8.68(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NC(C)C4=NC(=CS4)C

DOS

IR

Vibrations