Geometry & MOs

Info

ID:	367178
PubChem CID:	127323940
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	375.15291
ΔH_f, kcal/mol:	-63.66
Dipole, Da:	8.06
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC3=C(C=C(NC3=O)C)C

DOS

IR

Vibrations