Geometry & MOs

Info

ID:	157873
PubChem CID:	56437659
Reduced:	NO3C11H17 (2)
Stoich.:	AB3C11D17 (2)
Weight, g/mol:	426.03612
ΔH_f, kcal/mol:	-274.61
Dipole, Da:	4.67
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N(C)CCCC(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations