Geometry & MOs

Info

ID:	335549
PubChem CID:	127254411
Reduced:	ClN2O4C15H15 (1)
Stoich.:	AB2C4D15E15 (1)
Weight, g/mol:	425.113331
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	1.84
IP(EA), eV:	-8.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-[4-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

COC1=CN(C(=CC1=O)C(=O)NC2=CC=C(C=C2)Cl)CCO

DOS

IR

Vibrations