Geometry & MOs

Info

ID:	354276
PubChem CID:	127286240
Reduced:	OS2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	17.2
Dipole, Da:	5.06
IP(EA), eV:	-8.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC2=NC=CC=N2)NC(=O)N3CCCSCC3

DOS

IR

Vibrations