Geometry & MOs

Info

ID:	367320
PubChem CID:	127324135
Reduced:	SO2N5C15H25 (1)
Stoich.:	AB2C5D15E25 (1)
Weight, g/mol:	394.215095
ΔH_f, kcal/mol:	-48.62
Dipole, Da:	2.37
IP(EA), eV:	-8.93(0.21)
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-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CSCC1(CNC(=O)NCCN2C=CC=N2)N3CCOCC3

DOS

IR

Vibrations