Geometry & MOs

Info

ID:	368447
PubChem CID:	127328701
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	-147.98
Dipole, Da:	3.51
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(cyclohexylsulfanylmethyl)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)SCC2=CC(=CC=C2)NC(=O)NCC3(CCOCC3)O

DOS

IR

Vibrations