Geometry & MOs

Info

ID:	56609
PubChem CID:	17487180
Reduced:	NS2O5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	408.128983
ΔH_f, kcal/mol:	-195.07
Dipole, Da:	5.39
IP(EA), eV:	-9.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations