Geometry & MOs

Info

ID:	237389
PubChem CID:	92719025
Reduced:	BrSO2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	473.04088
ΔH_f, kcal/mol:	14.1
Dipole, Da:	3.26
IP(EA), eV:	-9.12(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3Br

DOS

IR

Vibrations