Geometry & MOs

Info

ID:	54365
PubChem CID:	17136991
Reduced:	ClFSO2N4H16C18 (1)
Stoich.:	ABCD2E4F16G18 (1)
Weight, g/mol:	554.04458
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	4.17
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-bromophenyl)methylsulfanyl]phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations