Geometry & MOs

Info

ID:	139269
PubChem CID:	52501392
Reduced:	S2N4O5C17H26 (1)
Stoich.:	A2B4C5D17E26 (1)
Weight, g/mol:	438.08037
ΔH_f, kcal/mol:	-196.28
Dipole, Da:	11.99
IP(EA), eV:	-9.0(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@H]1CCCN(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations