Geometry & MOs

Info

ID:	343689
PubChem CID:	127266865
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	293.104338
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	4.94
IP(EA), eV:	-9.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-ethylurea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)S(=O)(=O)NC[C@@H]2C[C@H]2C3=CN=CC=C3

DOS

IR

Vibrations