Geometry & MOs

Info

ID:	367245
PubChem CID:	127324022
Reduced:	ClSO2N3C18H20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	347.177982
ΔH_f, kcal/mol:	-45.78
Dipole, Da:	2.31
IP(EA), eV:	-9.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(S1)Cl)NC(=O)N2CCNC(=O)CC2C3=CC=CC=C3

DOS

IR

Vibrations