Geometry & MOs

Info

ID:	322125
PubChem CID:	126668765
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	646.174072
ΔH_f, kcal/mol:	-5.73
Dipole, Da:	2.97
IP(EA), eV:	-9.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N'-[[2-chloro-4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]carbamoyl]-N-(5-methyl-2-propylphenyl)carbamimidothioate

Drug info:

PubChemData

Smile

CN1C2C13C(CC(C2)OC(=O)C4=CC=CC=C4)C5C3O5

DOS

IR

Vibrations