Geometry & MOs

Info

ID:	68762
PubChem CID:	46509042
Reduced:	ClSO3N4H19C25 (1)
Stoich.:	ABC3D4E19F25 (1)
Weight, g/mol:	439.150053
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	4.25
IP(EA), eV:	-9.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[4-methyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N=C(N2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5=CC=CC=C5OC

DOS

IR

Vibrations