Geometry & MOs

Info

ID:	194184
PubChem CID:	78495718
Reduced:	BrNO3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	385.00958
ΔH_f, kcal/mol:	-84.85
Dipole, Da:	22.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783695
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CC2C(CCC3C2OC=C(C3=O)C4=CC=C(C=C4)Br)O

DOS

IR

Vibrations