Geometry & MOs

Info

ID:	243056
PubChem CID:	99215317
Reduced:	OS3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	451.144489
ΔH_f, kcal/mol:	63.98
Dipole, Da:	6.61
IP(EA), eV:	-8.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chlorophenyl)methyl-[(4-cyclopropyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C1=CC=CS1)NCN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations